CAS RN: 25582-63-2
CAS Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuterio-1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C40H80NO8P
MOLECULAR WEIGHT: 796.420891
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C([2H])([
CAS RN: 326495-33-4
CAS Name: [(2R)-2,3-bis(1-oxohexadecoxy)propyl] [1,1,2,2-tetradeuterio-2-(trimethylammonio)ethyl] phosphate
OPENEYE Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] [1,1,2,2-tetradeuterio-2-(trimethylammonio)ethyl] phosphate
IUPAC Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] [1,1,2,2-tetradeuterio-2-(trimethylazaniumyl)ethyl] phosphate
SYSTEMATIC NAME: [(2R)-2,3-di(hexadecanoyloxy)propyl] [1,1,2,2-tetradeuterio-2-(trimethylazaniumyl)ethyl] phosphate
MOLECULAR FORMULA: C40H80NO8P
MOLECULAR WEIGHT: 738.063508
SMILES: [2H]C([2H])(C([2H])([2H])OP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[N+](C)(C)C
CAS RN: 326495-32-3
CAS Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuterio-1-oxotetradecoxy)propyl] [1,1,2,2-tetradeuterio-2-[tris(trideuteriomethyl)ammonio]ethyl] phosphate
OPENEYE Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] [1,1,2,2-tetradeuterio-2-[tris(trideuteriomethyl)ammonio]ethyl] phosphate
IUPAC Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] [1,1,2,2-tetradeuterio-2-[tris(trideuteriomethyl)azaniumyl]ethyl] phosphate
SYSTEMATIC NAME: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] [1,1,2,2-tetradeuterio-2-[tris(trideuteriomethyl)azaniumyl]ethyl] phosphate
MOLECULAR FORMULA: C36H72NO8P
MOLECULAR WEIGHT: 745.34538
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OC([2H])([2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H
CAS RN: 78415-49-3
CAS Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuterio-1-oxotetradecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C36H72NO8P
MOLECULAR WEIGHT: 732.265277
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([
CAS RN: 384835-47-6
CAS Name: sodium [(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl] butyl phosphate
OPENEYE Name: sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] butyl phosphate
IUPAC Name: sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] butyl phosphate
SYSTEMATIC NAME: sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] butyl phosphate
MOLECULAR FORMULA: C43H80NaO8P
MOLECULAR WEIGHT: 779.054031
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
CAS RN: 92609-92-2
CAS Name: sodium [(2R)-2,3-bis(1-oxohexadecoxy)propyl] butyl phosphate
OPENEYE Name: sodium butyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
IUPAC Name: sodium butyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
SYSTEMATIC NAME: sodium butyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
MOLECULAR FORMULA: C39H76NaO8P
MOLECULAR WEIGHT: 726.979471
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCCC)OC(=O)CCCCCCCCCCCCCCC.[Na+]
CAS RN: 384835-46-5
CAS Name: sodium [(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl] propyl phosphate
OPENEYE Name: sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] propyl phosphate
IUPAC Name: sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] propyl phosphate
SYSTEMATIC NAME: sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] propyl phosphate
MOLECULAR FORMULA: C42H78NaO8P
MOLECULAR WEIGHT: 765.027451
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
CAS RN: 92609-91-1
CAS Name: sodium [(2R)-2,3-bis(1-oxohexadecoxy)propyl] propyl phosphate
OPENEYE Name: sodium [(2R)-2,3-di(hexadecanoyloxy)propyl] propyl phosphate
IUPAC Name: sodium [(2R)-2,3-di(hexadecanoyloxy)propyl] propyl phosphate
SYSTEMATIC NAME: sodium [(2R)-2,3-di(hexadecanoyloxy)propyl] propyl phosphate
MOLECULAR FORMULA: C38H74NaO8P
MOLECULAR WEIGHT: 712.952891
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CCCCCCCCCCCCCCC.[Na+]
CAS RN: 474943-47-0
CAS Name: ammonium [(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexyl]amino]ethyl phosphate
OPENEYE Name: ammonium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexyl]amino]ethyl phosphate
IUPAC Name: azanium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethyl phosphate
SYSTEMATIC NAME: azanium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-4-[(2S,5R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexyl]amino]ethyl phosphate
MOLECULAR FORMULA: C53H103N2O18P
MOLECULAR WEIGHT: 1087.361281
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNCC(C([C@@H](C(CO)O)O[C@H]1C(C([C@H](C(O1)CO)O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[NH4+]
CAS RN: 383908-09-6
CAS Name: ammonium (2S,4R,5R)-5-acetamido-2-[[(2S,3S,5S)-5-[[(2S,3S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(1-
OPENEYE Name: ammonium (2S,4R,5R)-5-acetamido-2-[(2S,3S,5S)-5-[(2S,3S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R
IUPAC Name: azanium (2S,4R,5R)-5-acetamido-2-[(2S,3S,5S)-5-[(2S,3S,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecan
SYSTEMATIC NAME: azanium (2S,4R,5R)-5-acetamido-2-[(3S,5S,6S)-3-[(2S,3S,5R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3S,5R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(2S,3S,6R)-2-(hydroxymethyl)-6-[(E,2S,3R)-2-(octadecan
MOLECULAR FORMULA: C73H134N4O31
MOLECULAR WEIGHT: 1563.85326
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@@H]([C@@H](O1)CO)O[C@H]2[C@H](C([C@H](C(O2)CO)O[C@H]3[C@H](C([C@H](C(O3)CO)O)O[C@H]4[C@H](C([C@H](C(O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@H]([C@H](C(O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)[C@@H](/C=C/CCCCC
CAS RN: 475662-40-9
CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxotricosylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(E,2S,3R)-3-hydroxy-2-(tricosanoylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(tricosanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(E,2S,3R)-3-oxidanyl-2-(tricosanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C46H93N2O6P
MOLECULAR WEIGHT: 801.214181
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
CAS RN: 799812-61-6
CAS Name: ammonium [(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuterio-1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
OPENEYE Name: ammonium [(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxy-propyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
IUPAC Name: azanium [(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
SYSTEMATIC NAME: azanium [(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxy-propyl] [(5R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate
MOLECULAR FORMULA: C43H84NO13P
MOLECULAR WEIGHT: 885.290736
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OC1C([C@@H](C(C(C1O)O)O)O)O)OC
CAS RN: 98225-48-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H68O14
MOLECULAR WEIGHT: 881.05582
SMILES: C[C@@H]1C[C@H]2[C@@H](C[C@]3([C@H](O2)C[C@H]4[C@H](O3)C(=CC(=O)O4)C)C)O[C@@H]5[C@@H]1O[C@H]6C[C@@H]7[C@](C[C@@H]8[C@@H](O7)C/C=C\[C@@H]9[C@@H](O8)C[C@@H]1[C@@H](O9)C[C@@H]2[C@@](O1)([C@H](C[C@H](O2)CC(=C)C=O)O)C)(O[C@@]6(CC5)C)C
CAS RN: 18804-36-9
CAS Name: 1-[1-[5-(2-fluoroethyl)-2-thiophenyl]cyclohexyl]piperidine
OPENEYE Name: 1-[1-[5-(2-fluoroethyl)-2-thienyl]cyclohexyl]piperidine
IUPAC Name: 1-[1-[5-(2-fluoroethyl)thiophen-2-yl]cyclohexyl]piperidine
SYSTEMATIC NAME: 1-[1-[5-(2-fluoranylethyl)thiophen-2-yl]cyclohexyl]piperidine
MOLECULAR FORMULA: C17H26FNS
MOLECULAR WEIGHT: 295.458443
SMILES: C1CCC(CC1)(C2=CC=C(S2)CCF)N3CCCCC3
CAS RN: 64885-97-8
CAS Name: (2S)-2-[[(4S)-4-carboxylato-4-[[(2S)-2-[oxido-[(2R,3S,4S)-2,3,4-trihydroxy-5-(8-oxido-2,4-dioxo-10-pyrimido[4,5-b]quinolinyl)pentoxy]phosphoryl]oxy-1-oxopropyl]amino]-1-oxobutyl]amino]pentanedioate
OPENEYE Name: (2S)-2-[[(4S)-4-carboxylato-4-[[(2S)-2-[oxido-[(2R,3S,4S)-2,3,4-trihydroxy-5-(8-oxido-2,4-dioxo-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]butanoyl]amino]pentanedioate
IUPAC Name: (2S)-2-[[(4S)-4-carboxylato-4-[[(2S)-2-[oxido-[(2R,3S,4S)-2,3,4-trihydroxy-5-(8-oxido-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]butanoyl]amino]pentanedioate
SYSTEMATIC NAME: (2S)-2-[[(4S)-5-oxidanidyl-4-[[(2S)-2-[oxidanidyl-[(2R,3S,4S)-5-[8-oxidanidyl-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]phosphoryl]oxypropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]pentanedioate
MOLECULAR FORMULA: C29H31N5O18P-5
MOLECULAR WEIGHT: 768.552901
SMILES: C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])OC[C@H]([C@H]([C@H](CN1C2=C(C=CC(=C2)[O-])C=C3C1=NC(=O)NC3=O)O)O)O
CAS RN: 3063-71-6
CAS Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C20H29N4O16P-2
MOLECULAR WEIGHT: 612.435221
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O
CAS RN: 18441-12-8
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] phosphate
MOLECULAR FORMULA: C16H23N5O16P2-2
MOLECULAR WEIGHT: 603.325242
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N
CAS RN: 2646-35-7
CAS Name: [(2R,3R,4R,5S)-2,3,4,5,7-pentahydroxy-6-oxoheptyl] phosphate
OPENEYE Name: [(2R,3R,4R,5S)-2,3,4,5,7-pentahydroxy-6-oxo-heptyl] phosphate
IUPAC Name: [(2R,3R,4R,5S)-2,3,4,5,7-pentahydroxy-6-oxoheptyl] phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-2,3,4,5,7-pentakis(oxidanyl)-6-oxidanylidene-heptyl] phosphate
MOLECULAR FORMULA: C7H13O10P-2
MOLECULAR WEIGHT: 288.145881
SMILES: C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)([O-])[O-]
CAS RN: 1070-11-7
CAS Name: [(2S)-1-hydroxybutan-2-yl]-[2-[[(2S)-1-hydroxybutan-2-yl]ammonio]ethyl]ammonium dichloride
OPENEYE Name: [(1S)-1-(hydroxymethyl)propyl]-[2-[[(1S)-1-(hydroxymethyl)propyl]ammonio]ethyl]ammonium dichloride
IUPAC Name: [(2S)-1-hydroxybutan-2-yl]-[2-[[(2S)-1-hydroxybutan-2-yl]azaniumyl]ethyl]azanium dichloride
SYSTEMATIC NAME: [(2S)-1-oxidanylbutan-2-yl]-[2-[[(2S)-1-oxidanylbutan-2-yl]azaniumyl]ethyl]azanium dichloride
MOLECULAR FORMULA: C10H26Cl2N2O2
MOLECULAR WEIGHT: 277.23164
SMILES: CC[C@@H](CO)[NH2+]CC[NH2+][C@@H](CC)CO.[Cl-].[Cl-]
CAS RN: 1211594-43-2
CAS Name: 4-[4-(2-chlorophenyl)-2-oxazolyl]aniline
OPENEYE Name: 4-[4-(2-chlorophenyl)oxazol-2-yl]aniline
IUPAC Name: 4-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]aniline
SYSTEMATIC NAME: 4-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]aniline
MOLECULAR FORMULA: C15H11ClN2O
MOLECULAR WEIGHT: 270.71364
SMILES: C1=CC=C(C(=C1)C2=COC(=N2)C3=CC=C(C=C3)N)Cl
CAS RN: 1093101-65-5
CAS Name: 8-amino-7-methyl-1H-quinazolin-4-one
OPENEYE Name: 8-amino-7-methyl-1H-quinazolin-4-one
IUPAC Name: 8-amino-7-methyl-1H-quinazolin-4-one
SYSTEMATIC NAME: 8-azanyl-7-methyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: CC1=C(C2=C(C=C1)C(=O)N=CN2)N
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