CAS RN: 90272-60-9
CAS Name: N-di(propan-2-yloxy)phosphinothioylethanamine
OPENEYE Name: N-diisopropoxyphosphinothioylethanamine
IUPAC Name: N-di(propan-2-yloxy)phosphinothioylethanamine
SYSTEMATIC NAME: N-di(propan-2-yloxy)phosphinothioylethanamine
MOLECULAR FORMULA: C8H20NO2PS
MOLECULAR WEIGHT: 225.288661
SMILES: CCNP(=S)(OC(C)C)OC(C)C
Structure:
CAS RN: 90532-94-8
CAS Name: N-dipropoxyphosphinothioylethanamine
OPENEYE Name: N-dipropoxyphosphinothioylethanamine
IUPAC Name: N-dipropoxyphosphinothioylethanamine
SYSTEMATIC NAME: N-dipropoxyphosphinothioylethanamine
MOLECULAR FORMULA: C8H20NO2PS
MOLECULAR WEIGHT: 225.288661
SMILES: CCCOP(=S)(NCC)OCCC
Structure:
CAS RN: 36592-32-2
CAS Name: N-diethoxyphosphinothioylethanamine
OPENEYE Name: N-diethoxyphosphinothioylethanamine
IUPAC Name: N-diethoxyphosphinothioylethanamine
SYSTEMATIC NAME: N-diethoxyphosphinothioylethanamine
MOLECULAR FORMULA: C6H16NO2PS
MOLECULAR WEIGHT: 197.235501
SMILES: CCNP(=S)(OCC)OCC
Structure:
CAS RN: 23067-28-9
CAS Name: methanesulfonic acid [4-[4-(4-methylsulfonyloxyphenyl)hex-3-en-3-yl]phenyl] ester
OPENEYE Name: [4-[1-ethyl-2-(4-methylsulfonyloxyphenyl)but-1-enyl]phenyl] methanesulfonate
IUPAC Name: [4-[4-(4-methylsulfonyloxyphenyl)hex-3-en-3-yl]phenyl] methanesulfonate
SYSTEMATIC NAME: [4-[4-(4-methylsulfonyloxyphenyl)hex-3-en-3-yl]phenyl] methanesulfonate
MOLECULAR FORMULA: C20H24O6S2
MOLECULAR WEIGHT: 424.53096
SMILES: CCC(=C(CC)C1=CC=C(C=C1)OS(=O)(=O)C)C2=CC=C(C=C2)OS(=O)(=O)C
Structure:
CAS RN: 55561-43-8
CAS Name: methanesulfonic acid (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) methanesulfonate
IUPAC Name: (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) methanesulfonate
SYSTEMATIC NAME: (13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) methanesulfonate
MOLECULAR FORMULA: C19H26O4S
MOLECULAR WEIGHT: 350.47234
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)C
Structure:
CAS RN: 4299-28-9
CAS Name: 2-[[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)-5,6,7,8-tetrahydropteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H26N8O5
MOLECULAR WEIGHT: 458.47104
SMILES: CN(CC1CNC2=C(N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 19029-32-4
CAS Name: 5,12-dihydrobenzo[b]phenazine
OPENEYE Name: 5,12-dihydrobenzo[b]phenazine
IUPAC Name: 5,12-dihydrobenzo[b]phenazine
SYSTEMATIC NAME: 5,12-dihydrobenzo[b]phenazine
MOLECULAR FORMULA: C16H12N2
MOLECULAR WEIGHT: 232.27988
SMILES: C1=CC=C2C=C3C(=CC2=C1)NC4=CC=CC=C4N3
Structure:
CAS RN: 20513-43-3
CAS Name: 2-chloro-4-[(3-chloro-4-isocyanatophenyl)methyl]-1-isocyanatobenzene
OPENEYE Name: 2-chloro-4-[(3-chloro-4-isocyanato-phenyl)methyl]-1-isocyanato-benzene
IUPAC Name: 2-chloro-4-[(3-chloro-4-isocyanatophenyl)methyl]-1-isocyanatobenzene
SYSTEMATIC NAME: 2-chloranyl-4-[(3-chloranyl-4-isocyanato-phenyl)methyl]-1-isocyanato-benzene
MOLECULAR FORMULA: C15H8Cl2N2O2
MOLECULAR WEIGHT: 319.14222
SMILES: C1=CC(=C(C=C1CC2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=O
Structure:
CAS RN: 7131-84-2
CAS Name: 4-[2-(4-methyl-1-piperazinyl)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
OPENEYE Name: 4-[6-isobutyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
IUPAC Name: 4-[2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SYSTEMATIC NAME: 4-[2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
MOLECULAR FORMULA: C20H34N6O
MOLECULAR WEIGHT: 374.52356
SMILES: CC(C)CN1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C)N4CCOCC4
Structure:
CAS RN: 7128-36-1
CAS Name: 2-(4-methyl-1-piperazinyl)-6-(2-methylpropyl)-4-(1-pyrrolidinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
OPENEYE Name: 6-isobutyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
IUPAC Name: 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
MOLECULAR FORMULA: C20H34N6
MOLECULAR WEIGHT: 358.52416
SMILES: CC(C)CN1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C)N4CCCC4
Structure:
CAS RN: 1026-34-2
CAS Name: 6-[2-(dimethylamino)ethyl]-2-(methylthio)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
OPENEYE Name: 6-[2-(dimethylamino)ethyl]-2-methylsulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
IUPAC Name: 6-[2-(dimethylamino)ethyl]-2-methylsulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 6-[2-(dimethylamino)ethyl]-2-methylsulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H20N4OS
MOLECULAR WEIGHT: 268.3784
SMILES: CN(C)CCN1CCC2=C(C1)C(=O)N=C(N2)SC
Structure:
CAS RN: 135481-57-1
CAS Name: 6-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
OPENEYE Name: 6-benzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
IUPAC Name: 6-benzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: C1CN(CC2=C1NC(=O)NC2=O)CC3=CC=CC=C3
Structure:
CAS RN: 7128-32-7
CAS Name: 4-[6-propyl-4-(1-pyrrolidinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
OPENEYE Name: 4-(6-propyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)morpholine
IUPAC Name: 4-(6-propyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)morpholine
SYSTEMATIC NAME: 4-(6-propyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)morpholine
MOLECULAR FORMULA: C18H29N5O
MOLECULAR WEIGHT: 331.45576
SMILES: CCCN1CCC2=C(C1)C(=NC(=N2)N3CCOCC3)N4CCCC4
Structure:
CAS RN: 7128-27-0
CAS Name: [2-(4-methyl-1-piperazinyl)-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]hydrazine
OPENEYE Name: [6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]hydrazine
IUPAC Name: [6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]hydrazine
SYSTEMATIC NAME: [2-(4-methylpiperazin-1-yl)-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]diazane
MOLECULAR FORMULA: C19H27N7
MOLECULAR WEIGHT: 353.46458
SMILES: CN1CCN(CC1)C2=NC3=C(CN(CC3)CC4=CC=CC=C4)C(=N2)NN
Structure:
CAS RN: 1442-26-8
CAS Name: 6-ethyl-2-(methylthio)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
OPENEYE Name: 6-ethyl-2-methylsulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
IUPAC Name: 6-ethyl-2-methylsulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 6-ethyl-2-methylsulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C10H15N3OS
MOLECULAR WEIGHT: 225.3106
SMILES: CCN1CCC2=C(C1)C(=O)N=C(N2)SC
Structure:
CAS RN: 15637-62-4
CAS Name: 2-(ethylthio)-6-propan-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
OPENEYE Name: 2-ethylsulfanyl-6-isopropyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
IUPAC Name: 2-ethylsulfanyl-6-propan-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-ethylsulfanyl-6-propan-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H19N3OS
MOLECULAR WEIGHT: 253.36376
SMILES: CCSC1=NC(=O)C2=C(N1)CCN(C2)C(C)C
Structure:
CAS RN: 5950-81-2
CAS Name: 4-fluorophenanthrene-9,10-dione
OPENEYE Name: 4-fluorophenanthrene-9,10-dione
IUPAC Name: 4-fluorophenanthrene-9,10-dione
SYSTEMATIC NAME: 4-fluoranylphenanthrene-9,10-dione
MOLECULAR FORMULA: C14H7FO2
MOLECULAR WEIGHT: 226.202583
SMILES: C1=CC=C2C(=C1)C3=C(C=CC=C3F)C(=O)C2=O
Structure:
CAS RN: 94331-75-6
CAS Name: 4-bromo-N-[(2-methoxy-1-naphthalenyl)methylideneamino]aniline
OPENEYE Name: 4-bromo-N-[(2-methoxy-1-naphthyl)methyleneamino]aniline
IUPAC Name: 4-bromo-N-[(2-methoxynaphthalen-1-yl)methylideneamino]aniline
SYSTEMATIC NAME: 4-bromanyl-N-[(2-methoxynaphthalen-1-yl)methylideneamino]aniline
MOLECULAR FORMULA: C18H15BrN2O
MOLECULAR WEIGHT: 355.2285
SMILES: COC1=C(C2=CC=CC=C2C=C1)C=NNC3=CC=C(C=C3)Br
Structure:
CAS RN: 94301-59-4
CAS Name: N-[(2-methoxy-1-naphthalenyl)methylideneamino]-1,3-benzothiazol-2-amine
OPENEYE Name: N-[(2-methoxy-1-naphthyl)methyleneamino]-1,3-benzothiazol-2-amine
IUPAC Name: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C19H15N3OS
MOLECULAR WEIGHT: 333.4069
SMILES: COC1=C(C2=CC=CC=C2C=C1)C=NNC3=NC4=CC=CC=C4S3
Structure:
CAS RN: 89897-36-9
CAS Name: 2-[(2-amino-6-methyl-4-pyrimidinyl)amino]acetic acid
OPENEYE Name: 2-[(2-amino-6-methyl-pyrimidin-4-yl)amino]acetic acid
IUPAC Name: 2-[(2-amino-6-methylpyrimidin-4-yl)amino]acetic acid
SYSTEMATIC NAME: 2-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]ethanoic acid
MOLECULAR FORMULA: C7H10N4O2
MOLECULAR WEIGHT: 182.1799
SMILES: CC1=CC(=NC(=N1)N)NCC(=O)O
Structure:
CAS RN: 7409-37-2
CAS Name: 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoyl]amino]-3-phenyl-propanoate
IUPAC Name: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoyl]amino]-3-phenyl-propanoate
MOLECULAR FORMULA: C25H31Cl2N3O4
MOLECULAR WEIGHT: 508.43734
SMILES: CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)N(CCCl)CCCl)NC=O
Structure:
CAS RN: 92260-26-9
CAS Name: acetic acid; N-(3-oxo-2H-1,2,4-triazin-5-yl)acetamide
OPENEYE Name: acetic acid; N-(3-oxo-2H-1,2,4-triazin-5-yl)acetamide
IUPAC Name: acetic acid; N-(3-oxo-2H-1,2,4-triazin-5-yl)acetamide
SYSTEMATIC NAME: ethanoic acid; N-(3-oxidanylidene-2H-1,2,4-triazin-5-yl)ethanamide
MOLECULAR FORMULA: C7H10N4O4
MOLECULAR WEIGHT: 214.1787
SMILES: CC(=O)NC1=NC(=O)NN=C1.CC(=O)O
Structure:
CAS RN: 970-11-6
CAS Name: 4-fluoro-N-[(2-methoxy-1-naphthalenyl)methylideneamino]aniline
OPENEYE Name: 4-fluoro-N-[(2-methoxy-1-naphthyl)methyleneamino]aniline
IUPAC Name: 4-fluoro-N-[(2-methoxynaphthalen-1-yl)methylideneamino]aniline
SYSTEMATIC NAME: 4-fluoranyl-N-[(2-methoxynaphthalen-1-yl)methylideneamino]aniline
MOLECULAR FORMULA: C18H15FN2O
MOLECULAR WEIGHT: 294.322903
SMILES: COC1=C(C2=CC=CC=C2C=C1)C=NNC3=CC=C(C=C3)F
Structure:
CAS RN: 35998-97-1
CAS Name: N,N-diethyl-3,4-dinitroaniline
OPENEYE Name: N,N-diethyl-3,4-dinitro-aniline
IUPAC Name: N,N-diethyl-3,4-dinitroaniline
SYSTEMATIC NAME: N,N-diethyl-3,4-dinitro-aniline
MOLECULAR FORMULA: C10H13N3O4
MOLECULAR WEIGHT: 239.22792
SMILES: CCN(CC)C1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 51707-38-1
CAS Name: 3,5-dimethoxybenzohydrazide
OPENEYE Name: 3,5-dimethoxybenzohydrazide
IUPAC Name: 3,5-dimethoxybenzohydrazide
SYSTEMATIC NAME: 3,5-dimethoxybenzohydrazide
MOLECULAR FORMULA: C9H12N2O3
MOLECULAR WEIGHT: 196.20318
SMILES: COC1=CC(=CC(=C1)C(=O)NN)OC
Structure:
CAS RN: 49634-93-7
CAS Name: N,N-diethylcarbamothioic acid O-propan-2-yl ester
OPENEYE Name: O-isopropyl N,N-diethylcarbamothioate
IUPAC Name: O-propan-2-yl N,N-diethylcarbamothioate
SYSTEMATIC NAME: O-propan-2-yl N,N-diethylcarbamothioate
MOLECULAR FORMULA: C8H17NOS
MOLECULAR WEIGHT: 175.29168
SMILES: CCN(CC)C(=S)OC(C)C
Structure:
CAS RN: 3518-88-5
CAS Name: 3-[(3-ethoxy-3-oxopropyl)amino]propanoic acid ethyl ester
OPENEYE Name: ethyl 3-[(3-ethoxy-3-oxo-propyl)amino]propanoate
IUPAC Name: ethyl 3-[(3-ethoxy-3-oxopropyl)amino]propanoate
SYSTEMATIC NAME: ethyl 3-[(3-ethoxy-3-oxidanylidene-propyl)amino]propanoate
MOLECULAR FORMULA: C10H19NO4
MOLECULAR WEIGHT: 217.26216
SMILES: CCOC(=O)CCNCCC(=O)OCC
Structure:
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