CAS RN: 63700-38-9
CAS Name: N-[4-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-
OPENEYE Name: N-[3-amino-1-[[2-hydroxy-1-[[1-(hydroxymethyl)-2-oxo-2-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]ethyl]carbamoyl]propyl]carbamoyl]propyl]-6-methyl-octanamide
IUPAC Name: N-[4-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloc
SYSTEMATIC NAME: N-[4-azanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3,12-bis(1-hydroxyethyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]
MOLECULAR FORMULA: C53H91N15O15
MOLECULAR WEIGHT: 1178.38114
SMILES: CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)C(C)O)CCN)CCN)C(C)O
Structure:
CAS RN: 63663-79-6
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-amino-1-oxoethyl)-methylamino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-aminoacetyl)-methyl-amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-aminoacetyl)-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-5-methyl-7-oxidanyl-4-oxidanylidene-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[2-azanylethanoyl(methyl)amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
MOLECULAR FORMULA: C17H29N7O8
MOLECULAR WEIGHT: 459.45426
SMILES: CN1C[C@H]([C@@H]2[C@@H](C1=O)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)N(C)C(=O)CN)O
Structure:
CAS RN: 63274-86-2
CAS Name: 2-[(diethoxyphosphorylthio)methylthio]acetic acid methyl ester
OPENEYE Name: methyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
IUPAC Name: methyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
SYSTEMATIC NAME: methyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)ethanoate
MOLECULAR FORMULA: C8H17O5PS2
MOLECULAR WEIGHT: 288.321341
SMILES: CCOP(=O)(OCC)SCSCC(=O)OC
Structure:
CAS RN: 63257-29-4
CAS Name: (2S,3S,6R)-3-[[(3S)-3-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-2-carboxylic acid
OPENEYE Name: (2S,3S,6R)-3-[[(3S)-3-amino-5-guanidino-pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
IUPAC Name: (2S,3S,6R)-3-[[(3S)-3-amino-5-(diaminomethylideneamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,6R)-3-[[(3S)-3-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
MOLECULAR FORMULA: C16H24N8O5
MOLECULAR WEIGHT: 408.41236
SMILES: C1=C[C@@H](O[C@@H]([C@H]1NC(=O)C[C@H](CCN=C(N)N)N)C(=O)O)N2C=CC(=NC2=O)N
Structure:
CAS RN: 63233-96-5
CAS Name: 2-[2-(diethoxyphosphinothioylthio)ethylthio]acetic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate
IUPAC Name: propan-2-yl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate
SYSTEMATIC NAME: propan-2-yl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)ethanoate
MOLECULAR FORMULA: C11H23O4PS3
MOLECULAR WEIGHT: 346.466681
SMILES: CCOP(=S)(OCC)SCCSCC(=O)OC(C)C
Structure:
CAS RN: 63233-95-4
CAS Name: 2-[2-(diethoxyphosphinothioylthio)ethylthio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate
IUPAC Name: ethyl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate
SYSTEMATIC NAME: ethyl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)ethanoate
MOLECULAR FORMULA: C10H21O4PS3
MOLECULAR WEIGHT: 332.440101
SMILES: CCOC(=O)CSCCSP(=S)(OCC)OCC
Structure:
CAS RN: 63233-93-2
CAS Name: 2-[(diethoxyphosphinothioylthio)methylthio]acetic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
IUPAC Name: propan-2-yl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
SYSTEMATIC NAME: propan-2-yl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)ethanoate
MOLECULAR FORMULA: C10H21O4PS3
MOLECULAR WEIGHT: 332.440101
SMILES: CCOP(=S)(OCC)SCSCC(=O)OC(C)C
Structure:
CAS RN: 63233-92-1
CAS Name: 2-[(diethoxyphosphinothioylthio)methylthio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
IUPAC Name: ethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
SYSTEMATIC NAME: ethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)ethanoate
MOLECULAR FORMULA: C9H19O4PS3
MOLECULAR WEIGHT: 318.413521
SMILES: CCOC(=O)CSCSP(=S)(OCC)OCC
Structure:
CAS RN: 63233-91-0
CAS Name: 2-[(diethoxyphosphinothioylthio)methylthio]acetic acid methyl ester
OPENEYE Name: methyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
IUPAC Name: methyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
SYSTEMATIC NAME: methyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)ethanoate
MOLECULAR FORMULA: C8H17O4PS3
MOLECULAR WEIGHT: 304.386941
SMILES: CCOP(=S)(OCC)SCSCC(=O)OC
Structure:
CAS RN: 63224-16-8
CAS Name: N-[2-(dimethylamino)ethyl]butanamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]butanamide
IUPAC Name: N-[2-(dimethylamino)ethyl]butanamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]butanamide
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CCCC(=O)NCCN(C)C
Structure:
CAS RN: 63094-28-0
CAS Name: 11-oxo-8-pyrido[2,1-b]quinazolinecarboxylic acid
OPENEYE Name: 11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
IUPAC Name: 11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SYSTEMATIC NAME: 11-oxidanylidenepyrido[2,1-b]quinazoline-8-carboxylic acid
MOLECULAR FORMULA: C13H8N2O3
MOLECULAR WEIGHT: 240.21422
SMILES: C1=CC=C2C(=C1)C(=O)N3C=C(C=CC3=N2)C(=O)O
Structure:
CAS RN: 63041-61-2
CAS Name: 1,3-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
OPENEYE Name: 1,3-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
IUPAC Name: 1,3-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
SYSTEMATIC NAME: 1,3-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
MOLECULAR FORMULA: C22H18
MOLECULAR WEIGHT: 282.37832
SMILES: CC1CC2=C(C=CC3=CC4=C(C1=C23)C=CC5=CC=CC=C54)C
Structure:
CAS RN: 63040-44-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H58O8
MOLECULAR WEIGHT: 630.85162
SMILES: CCCCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H](C2OC(=O)C(C)CC)C)O)C=C(C4=O)C)O)CO
Structure:
CAS RN: 63040-43-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H54O8
MOLECULAR WEIGHT: 602.79846
SMILES: CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H](C2OC(=O)C(C)CC)C)O)C=C(C4=O)C)O)CO
Structure:
CAS RN: 62907-78-2
CAS Name: 4-amino-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 4-azanyl-N-(3-methoxypyrazin-2-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C18H29N5O8S
MOLECULAR WEIGHT: 475.51656
SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 62825-92-7
CAS Name: 5-[(2-bromophenyl)methyl]-2-oxazolidinone
OPENEYE Name: 5-[(2-bromophenyl)methyl]oxazolidin-2-one
IUPAC Name: 5-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: C1C(OC(=O)N1)CC2=CC=CC=C2Br
Structure:
CAS RN: 62637-93-8
CAS Name: N,N-dimethylmethanamine oxide dihydrate
OPENEYE Name: N,N-dimethylmethanamine oxide dihydrate
IUPAC Name: N,N-dimethylmethanamine oxide dihydrate
SYSTEMATIC NAME: N,N-dimethylmethanamine oxide dihydrate
MOLECULAR FORMULA: C3H13NO3
MOLECULAR WEIGHT: 111.14022
SMILES: C[N+](C)(C)[O-].O.O
Structure:
CAS RN: 62563-68-2
CAS Name: 2-[2,3-bis(2-hydroxyethoxy)propoxy]ethanol; hexadecanoic acid; octadecanoic acid
OPENEYE Name: 2-[2,3-bis(2-hydroxyethoxy)propoxy]ethanol; palmitic acid; stearic acid
IUPAC Name: 2-[2,3-bis(2-hydroxyethoxy)propoxy]ethanol; hexadecanoic acid; octadecanoic acid
SYSTEMATIC NAME: 2-[2,3-bis(2-hydroxyethyloxy)propoxy]ethanol; hexadecanoic acid; octadecanoic acid
MOLECULAR FORMULA: C43H88O10
MOLECULAR WEIGHT: 765.15282
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C(COCC(COCCO)OCCO)O
Structure:
CAS RN: 62497-62-5
CAS Name: 6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
OPENEYE Name: 6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
IUPAC Name: 6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
SYSTEMATIC NAME: 6-aminocarbonyl-4-methoxy-5-oxidanyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
MOLECULAR FORMULA: C13H13N3O5
MOLECULAR WEIGHT: 291.25942
SMILES: COC1=C2C(=C3CCN(C3=C1O)C(=O)N)C=C(N2)C(=O)O
Structure:
CAS RN: 62295-52-7
CAS Name: 2-[2-methyl-1-[2-(1-piperidinyl)ethyl]-4-pyridinylidene]indene-1,3-dione
OPENEYE Name: 2-[2-methyl-1-[2-(1-piperidyl)ethyl]-4-pyridylidene]indane-1,3-dione
IUPAC Name: 2-[2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=CN1CCN4CCCCC4
Structure:
CAS RN: 61798-04-7
CAS Name: 1,3-diamino-2-propanone dihydrochloride
OPENEYE Name: 1,3-diaminopropan-2-one dihydrochloride
IUPAC Name: 1,3-diaminopropan-2-one dihydrochloride
SYSTEMATIC NAME: 1,3-bis(azanyl)propan-2-one dihydrochloride
MOLECULAR FORMULA: C3H10Cl2N2O
MOLECULAR WEIGHT: 161.0303
SMILES: C(C(=O)CN)N.Cl.Cl
Structure:
CAS RN: 61655-58-1
CAS Name: 2-chloro-6-(1-piperazinyl)pyrazine hydrochloride
OPENEYE Name: 2-chloro-6-piperazin-1-yl-pyrazine hydrochloride
IUPAC Name: 2-chloro-6-piperazin-1-ylpyrazine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-6-piperazin-1-yl-pyrazine hydrochloride
MOLECULAR FORMULA: C8H12Cl2N4
MOLECULAR WEIGHT: 235.11368
SMILES: C1CN(CCN1)C2=CN=CC(=N2)Cl.Cl
Structure:
CAS RN: 61516-78-7
CAS Name: 2-(2-sulfanylidene-1-pyrrolidinyl)acetamide
OPENEYE Name: 2-(2-thioxopyrrolidin-1-yl)acetamide
IUPAC Name: 2-(2-sulfanylidenepyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: 2-(2-sulfanylidenepyrrolidin-1-yl)ethanamide
MOLECULAR FORMULA: C6H10N2OS
MOLECULAR WEIGHT: 158.2214
SMILES: C1CC(=S)N(C1)CC(=O)N
Structure:
CAS RN: 61508-57-4
CAS Name: [(2S,4S)-2-(iodomethyl)-1,3-dioxolan-4-yl]methanol
OPENEYE Name: [(2S,4S)-2-(iodomethyl)-1,3-dioxolan-4-yl]methanol
IUPAC Name: [(2S,4S)-2-(iodomethyl)-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [(2S,4S)-2-(iodanylmethyl)-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C5H9IO3
MOLECULAR WEIGHT: 244.02763
SMILES: C1[C@@H](O[C@H](O1)CI)CO
Structure:
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