CAS RN: 53748-60-0
CAS Name: (2-azanidylcyclohexyl)azanide; nickel
OPENEYE Name: (2-azanidylcyclohexyl)azanide; nickel
IUPAC Name: (2-azanidylcyclohexyl)azanide; nickel
SYSTEMATIC NAME: (2-azanidylcyclohexyl)azanide; nickel
MOLECULAR FORMULA: C12H24N4Ni-4
MOLECULAR WEIGHT: 283.03916
SMILES: C1CCC(C(C1)[NH-])[NH-].C1CCC(C(C1)[NH-])[NH-].[Ni]
Structure:
CAS RN: 19994-54-8
CAS Name: 2-amino-8-hydroxy-6-phenyl-4-pteridinone
OPENEYE Name: 2-amino-8-hydroxy-6-phenyl-pteridin-4-one
IUPAC Name: 2-amino-8-hydroxy-6-phenylpteridin-4-one
SYSTEMATIC NAME: 2-azanyl-8-oxidanyl-6-phenyl-pteridin-4-one
MOLECULAR FORMULA: C12H9N5O2
MOLECULAR WEIGHT: 255.23216
SMILES: C1=CC=C(C=C1)C2=CN(C3=NC(=NC(=O)C3=N2)N)O
Structure:
CAS RN: 19994-58-2
CAS Name: 4-hydroxy-3-imino-6-methyl-2-pyrazinecarboxamide
OPENEYE Name: 4-hydroxy-3-imino-6-methyl-pyrazine-2-carboxamide
IUPAC Name: 4-hydroxy-3-imino-6-methylpyrazine-2-carboxamide
SYSTEMATIC NAME: 3-azanylidene-6-methyl-4-oxidanyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C6H8N4O2
MOLECULAR WEIGHT: 168.15332
SMILES: CC1=CN(C(=N)C(=N1)C(=O)N)O
Structure:
CAS RN: 64828-04-2
CAS Name: dichloroplatinum; 8-quinolinylazanide
OPENEYE Name: dichloroplatinum; 8-quinolylazanide
IUPAC Name: dichloroplatinum; quinolin-8-ylazanide
SYSTEMATIC NAME: bis(chloranyl)platinum; quinolin-8-ylazanide
MOLECULAR FORMULA: C9H7Cl2N2Pt-
MOLECULAR WEIGHT: 409.14928
SMILES: C1=CC2=C(C(=C1)[NH-])N=CC=C2.Cl[Pt]Cl
Structure:
CAS RN: 53064-85-0
CAS Name: carbamimidothioic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester hydrochloride
OPENEYE Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]isothiourea hydrochloride
IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl carbamimidothioate hydrochloride
SYSTEMATIC NAME: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl carbamimidothioate hydrochloride
MOLECULAR FORMULA: C7H12ClN5O2S
MOLECULAR WEIGHT: 265.72048
SMILES: CC1=NC=C(N1CCSC(=N)N)[N+](=O)[O-].Cl
Structure:
CAS RN: 70844-08-5
CAS Name: (7S,9S)-9-acetyl-7-[[4-(diethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: (7S,9S)-9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: (7S,9S)-9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: (7S,9S)-7-[4-(diethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C31H38ClNO10
MOLECULAR WEIGHT: 620.08712
SMILES: CCN(CC)C1CC(OC(C1O)C)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O.Cl
Structure:
CAS RN: 61788-16-7
CAS Name: 3-azido-6-phenyl-2H-1,2,4-triazin-5-one
OPENEYE Name: 3-azido-6-phenyl-2H-1,2,4-triazin-5-one
IUPAC Name: 3-azido-6-phenyl-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 3-azido-6-phenyl-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C9H6N6O
MOLECULAR WEIGHT: 214.18354
SMILES: C1=CC=C(C=C1)C2=NNC(=NC2=O)N=[N+]=[N-]
Structure:
CAS RN: 16063-13-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H14N2O4S
MOLECULAR WEIGHT: 270.30486
SMILES: CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=C[S+](=O)(C)C)[O-]
Structure:
CAS RN: 33494-80-3
CAS Name: ditert-butyl hydrogen phosphate; potassium
OPENEYE Name: ditert-butyl hydrogen phosphate; potassium
IUPAC Name: ditert-butyl hydrogen phosphate; potassium
SYSTEMATIC NAME: ditert-butyl hydrogen phosphate; potassium
MOLECULAR FORMULA: C8H19KO4P
MOLECULAR WEIGHT: 249.306121
SMILES: CC(C)(C)OP(=O)(O)OC(C)(C)C.[K]
Structure:
CAS RN: 53521-47-4
CAS Name: 1,1,3,3-tetramethyl-1,3-diazonia-4$l^{2}-bora-2-boranidacyclopentane
OPENEYE Name: 1,1,3,3-tetramethyl-1,3-diazonia-4$l^{2}-bora-2-boranidacyclopentane
IUPAC Name: 1,1,3,3-tetramethyl-1,3-diazonia-4$l^{2}-bora-2-boranidacyclopentane
SYSTEMATIC NAME: 1,1,3,3-tetramethyl-1,3-diazonia-4$l^{2}-bora-2-boranidacyclopentane
MOLECULAR FORMULA: C5H14B2N2+
MOLECULAR WEIGHT: 123.80006
SMILES: [B-]1[N+]([B]C[N+]1(C)C)(C)C
Structure:
CAS RN: 56086-83-0
CAS Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboximidic acid methyl ester hydrochloride
OPENEYE Name: methyl 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboximidate hydrochloride
IUPAC Name: methyl 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboximidate hydrochloride
SYSTEMATIC NAME: methyl 5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4-carboximidate hydrochloride
MOLECULAR FORMULA: C10H17ClN4O5
MOLECULAR WEIGHT: 308.71878
SMILES: COC(=N)C1=C(N(C=N1)C2C(C(C(O2)CO)O)O)N.Cl
Structure:
CAS RN: 65360-32-9
CAS Name: (1R,2R,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl (1R,2R,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate hydrochloride
IUPAC Name: methyl (1R,2R,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate hydrochloride
SYSTEMATIC NAME: methyl (1R,2R,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate hydrochloride
MOLECULAR FORMULA: C28H32ClNO11
MOLECULAR WEIGHT: 594.00678
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1C(=O)OC)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N)O.Cl
Structure:
CAS RN: 93061-74-6
CAS Name: N-(pyridin-4-ylmethylideneamino)benzenesulfonamide hydrochloride
OPENEYE Name: N-(4-pyridylmethyleneamino)benzenesulfonamide hydrochloride
IUPAC Name: N-(pyridin-4-ylmethylideneamino)benzenesulfonamide hydrochloride
SYSTEMATIC NAME: N-(pyridin-4-ylmethylideneamino)benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C12H12ClN3O2S
MOLECULAR WEIGHT: 297.76058
SMILES: C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=NC=C2.Cl
Structure:
CAS RN: 71418-09-2
CAS Name: 3-azanidylpropylazanide; oxalic acid; platinum(2+)
OPENEYE Name: 3-azanidylpropylazanide; oxalic acid; platinum(2+)
IUPAC Name: 3-azanidylpropylazanide; oxalic acid; platinum(2+)
SYSTEMATIC NAME: 3-azanidylpropylazanide; ethanedioic acid; platinum(2+)
MOLECULAR FORMULA: C5H10N2O4Pt
MOLECULAR WEIGHT: 357.2219
SMILES: C(C[NH-])C[NH-].C(=O)(C(=O)O)O.[Pt+2]
Structure:
CAS RN: 71361-15-4
CAS Name: butylazanide; diiodoplatinum(2+)
OPENEYE Name: butylazanide; diiodoplatinum(2+)
IUPAC Name: butylazanide; diiodoplatinum(2+)
SYSTEMATIC NAME: bis(iodanyl)platinum(2+); butylazanide
MOLECULAR FORMULA: C8H20I2N2Pt
MOLECULAR WEIGHT: 593.14474
SMILES: CCCC[NH-].CCCC[NH-].I[Pt+2]I
Structure:
CAS RN: 79451-60-8
CAS Name: N-[4-[(1-carbamimidoyl-3,5-dimethyl-4-pyrazolyl)azo]phenyl]acetamide hydrochloride
OPENEYE Name: N-[4-(1-carbamimidoyl-3,5-dimethyl-pyrazol-4-yl)azophenyl]acetamide hydrochloride
IUPAC Name: N-[4-[(1-carbamimidoyl-3,5-dimethylpyrazol-4-yl)diazenyl]phenyl]acetamide hydrochloride
SYSTEMATIC NAME: N-[4-[(1-carbamimidoyl-3,5-dimethyl-pyrazol-4-yl)diazenyl]phenyl]ethanamide hydrochloride
MOLECULAR FORMULA: C14H18ClN7O
MOLECULAR WEIGHT: 335.79202
SMILES: CC1=C(C(=NN1C(=N)N)C)N=NC2=CC=C(C=C2)NC(=O)C.Cl
Structure:
CAS RN: 74925-27-2
CAS Name: 3,3-dimethyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxiren-3-ium iodide
OPENEYE Name: 3,3-dimethyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxiren-3-ium iodide
IUPAC Name: 3,3-dimethyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxiren-3-ium iodide
SYSTEMATIC NAME: 3,3-dimethyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxiren-3-ium iodide
MOLECULAR FORMULA: C10H18IOP
MOLECULAR WEIGHT: 312.127551
SMILES: C[P+]1(CC2C3(C1CCCC3)O2)C.[I-]
Structure:
CAS RN: 61183-61-7
CAS Name: 3,3-dimethyl-6-oxa-3-phosphoniabicyclo[3.1.0]hexane iodide
OPENEYE Name: 3,3-dimethyl-6-oxa-3-phosphoniabicyclo[3.1.0]hexane iodide
IUPAC Name: 3,3-dimethyl-6-oxa-3-phosphoniabicyclo[3.1.0]hexane iodide
SYSTEMATIC NAME: 3,3-dimethyl-6-oxa-3-phosphoniabicyclo[3.1.0]hexane iodide
MOLECULAR FORMULA: C6H12IOP
MOLECULAR WEIGHT: 258.037111
SMILES: C[P+]1(CC2C(C1)O2)C.[I-]
Structure:
CAS RN: 42822-79-7
CAS Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone; dibutyltin
OPENEYE Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; dibutyltin
IUPAC Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; dibutyltin
SYSTEMATIC NAME: 4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one; dibutyltin
MOLECULAR FORMULA: C17H31N3O5Sn
MOLECULAR WEIGHT: 476.15514
SMILES: CCCC[Sn]CCCC.C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 15422-00-1
CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid 3-(diethylamino)propyl ester hydrochloride
OPENEYE Name: 3-(diethylamino)propyl 2-hydroxy-3-methyl-2-phenyl-butanoate hydrochloride
IUPAC Name: 3-(diethylamino)propyl 2-hydroxy-3-methyl-2-phenylbutanoate hydrochloride
SYSTEMATIC NAME: 3-(diethylamino)propyl 3-methyl-2-oxidanyl-2-phenyl-butanoate hydrochloride
MOLECULAR FORMULA: C18H30ClNO3
MOLECULAR WEIGHT: 343.8887
SMILES: CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)(C(C)C)O.Cl
Structure:
CAS RN: 93101-68-9
CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl ester hydrochloride
OPENEYE Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenyl-butanoate hydrochloride
IUPAC Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate hydrochloride
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate hydrochloride
MOLECULAR FORMULA: C19H26ClNO3
MOLECULAR WEIGHT: 351.86764
SMILES: CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CN3CCC2CC3)O.Cl
Structure:
CAS RN: 3753-27-3
CAS Name: hydroxy-(4-methylphenyl)-oxo-sulfanylidene-$l^{6}-sulfane; sodium
OPENEYE Name: hydroxy-oxo-(p-tolyl)-thioxo-$l^{6}-sulfane; sodium
IUPAC Name: hydroxy-(4-methylphenyl)-oxo-sulfanylidene-$l^{6}-sulfane; sodium
SYSTEMATIC NAME: (4-methylphenyl)-oxidanyl-oxidanylidene-sulfanylidene-$l^{6}-sulfane; sodium
MOLECULAR FORMULA: C7H8NaO2S2
MOLECULAR WEIGHT: 211.25699
SMILES: CC1=CC=C(C=C1)S(=O)(=S)O.[Na]
Structure:
CAS RN: 65208-78-8
CAS Name: benzenecarbothioic acid S-[2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: S-[2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] benzenecarbothioate hydrochloride
IUPAC Name: S-[2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] benzenecarbothioate hydrochloride
SYSTEMATIC NAME: S-[2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] benzenecarbothioate hydrochloride
MOLECULAR FORMULA: C34H34ClNO11S
MOLECULAR WEIGHT: 700.15186
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CSC(=O)C6=CC=CC=C6)O)N)O.Cl
Structure:
CAS RN: 65208-77-7
CAS Name: ethanethioic acid S-[2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: S-[2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] ethanethioate hydrochloride
IUPAC Name: S-[2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ethanethioate hydrochloride
SYSTEMATIC NAME: S-[2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] ethanethioate hydrochloride
MOLECULAR FORMULA: C29H32ClNO11S
MOLECULAR WEIGHT: 638.08248
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CSC(=O)C)O)N)O.Cl
Structure:
CAS RN: 14927-87-8
CAS Name: N-(butan-2-ylideneamino)-2-chloro-N-(2-chloroethyl)ethanamine; perchloric acid
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-(1-methylpropylideneamino)ethanamine; perchloric acid
IUPAC Name: N-(butan-2-ylideneamino)-2-chloro-N-(2-chloroethyl)ethanamine; perchloric acid
SYSTEMATIC NAME: N-(butan-2-ylideneamino)-2-chloranyl-N-(2-chloroethyl)ethanamine; perchloric acid
MOLECULAR FORMULA: C8H17Cl3N2O4
MOLECULAR WEIGHT: 311.59058
SMILES: CCC(=NN(CCCl)CCCl)C.OCl(=O)(=O)=O
Structure:
CAS RN: 58337-38-5
CAS Name: (2S,3R)-3-(6-aminopurin-9-yl)-2-nonanol hydrochloride
OPENEYE Name: (2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol hydrochloride
IUPAC Name: (2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol hydrochloride
SYSTEMATIC NAME: (2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol hydrochloride
MOLECULAR FORMULA: C14H24ClN5O
MOLECULAR WEIGHT: 313.82626
SMILES: CCCCCC[C@H]([C@H](C)O)N1C=NC2=C1N=CN=C2N.Cl
Structure:
CAS RN: 63355-99-7
CAS Name: carboxymethyl-[2-(carboxymethylazanidyl)ethyl]azanide; dichloroplatinum(2+)
OPENEYE Name: carboxymethyl-[2-(carboxymethylazanidyl)ethyl]azanide; dichloroplatinum(2+)
IUPAC Name: carboxymethyl-[2-(carboxymethylazanidyl)ethyl]azanide; dichloroplatinum(2+)
SYSTEMATIC NAME: bis(chloranyl)platinum(2+); 2-hydroxy-2-oxoethyl-[2-(2-hydroxy-2-oxoethylazanidyl)ethyl]azanide
MOLECULAR FORMULA: C6H10Cl2N2O4Pt
MOLECULAR WEIGHT: 440.1386
SMILES: C(C[N-]CC(=O)O)[N-]CC(=O)O.Cl[Pt+2]Cl
Structure:
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