CAS RN: 58249-38-0
CAS Name: 3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
OPENEYE Name: 3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
IUPAC Name: 3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
SYSTEMATIC NAME: 3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7-dione
MOLECULAR FORMULA: C14H16N4O2
MOLECULAR WEIGHT: 272.30244
SMILES: CC(C)(C)C1C=NN2N1C(=O)N(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 58249-36-8
CAS Name: 2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
OPENEYE Name: 2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
IUPAC Name: 2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
SYSTEMATIC NAME: 2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7-dione
MOLECULAR FORMULA: C16H12N4O2
MOLECULAR WEIGHT: 292.29208
SMILES: C1C(=NN2N1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 67455-70-3
CAS Name: 9,10-dimethoxy-3-(2-methylprop-2-enyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
OPENEYE Name: 9,10-dimethoxy-3-(2-methylallyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
IUPAC Name: 9,10-dimethoxy-3-(2-methylprop-2-enyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SYSTEMATIC NAME: 9,10-dimethoxy-3-(2-methylprop-2-enyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
MOLECULAR FORMULA: C19H25NO3
MOLECULAR WEIGHT: 315.4067
SMILES: CC(=C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
Structure:
CAS RN: 55114-39-1
CAS Name: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carbonitrile
OPENEYE Name: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carbonitrile
IUPAC Name: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carbonitrile
SYSTEMATIC NAME: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carbonitrile
MOLECULAR FORMULA: C12H16N4
MOLECULAR WEIGHT: 216.28224
SMILES: C1CCCC2=NC=C(C(=N2)NCCC1)C#N
Structure:
CAS RN: 58314-95-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N3
MOLECULAR WEIGHT: 241.33146
SMILES: C1CCCC2=NC3=CC=CC=C3C(=N)N2CCC1
Structure:
CAS RN: 55114-34-6
CAS Name: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
OPENEYE Name: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
IUPAC Name: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
SYSTEMATIC NAME: 4-azanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
MOLECULAR FORMULA: C10H14N4O
MOLECULAR WEIGHT: 206.24436
SMILES: C1CCC2=NC=C(C(=N)N2CC1)C(=O)N
Structure:
CAS RN: 55114-33-5
CAS Name: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
OPENEYE Name: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
IUPAC Name: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
SYSTEMATIC NAME: 4-azanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
MOLECULAR FORMULA: C10H12N4
MOLECULAR WEIGHT: 188.22908
SMILES: C1CCC2=NC=C(C(=N)N2CC1)C#N
Structure:
CAS RN: 53449-20-0
CAS Name: 8-(methylthio)-1H-imidazo[4,5-g]quinazoline
OPENEYE Name: 8-methylsulfanyl-1H-imidazo[4,5-g]quinazoline
IUPAC Name: 8-methylsulfanyl-1H-imidazo[4,5-g]quinazoline
SYSTEMATIC NAME: 8-methylsulfanyl-1H-imidazo[4,5-g]quinazoline
MOLECULAR FORMULA: C10H8N4S
MOLECULAR WEIGHT: 216.26232
SMILES: CSC1=NC=NC2=CC3=C(C=C21)NC=N3
Structure:
CAS RN: 56598-91-5
CAS Name: 1,3-dimethyl-2,5-dioxo-4-imidazolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1,3-dimethyl-2,5-dioxo-imidazolidine-4-carboxylate
IUPAC Name: ethyl 1,3-dimethyl-2,5-dioxoimidazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1,3-dimethyl-2,5-bis(oxidanylidene)imidazolidine-4-carboxylate
MOLECULAR FORMULA: C8H12N2O4
MOLECULAR WEIGHT: 200.19188
SMILES: CCOC(=O)C1C(=O)N(C(=O)N1C)C
Structure:
CAS RN: 57303-10-3
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine
MOLECULAR FORMULA: C11H14Cl2NO3P
MOLECULAR WEIGHT: 310.113521
SMILES: C1C2=CC=CC=C2OP(=O)(O1)N(CCCl)CCCl
Structure:
CAS RN: 57341-46-5
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2$l^{5}-benzodiazaphosphorin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2$l^{5}-benzodiazaphosphinin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2$l^{5}-benzodiazaphosphinin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-3,4-dihydro-1H-1,3,2$l^{5}-benzodiazaphosphinin-2-amine
MOLECULAR FORMULA: C11H16Cl2N3OP
MOLECULAR WEIGHT: 308.144001
SMILES: C1C2=CC=CC=C2NP(=O)(N1)N(CCCl)CCCl
Structure:
CAS RN: 57303-09-0
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-1,4-dihydro-3,1,2$l^{5}-benzoxazaphosphorin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-1,4-dihydro-3,1,2$l^{5}-benzoxazaphosphinin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,4-dihydro-3,1,2$l^{5}-benzoxazaphosphinin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-1,4-dihydro-3,1,2$l^{5}-benzoxazaphosphinin-2-amine
MOLECULAR FORMULA: C11H15Cl2N2O2P
MOLECULAR WEIGHT: 309.128761
SMILES: C1C2=CC=CC=C2NP(=O)(O1)N(CCCl)CCCl
Structure:
CAS RN: 57303-08-9
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1,3,2$l^{5}-benzoxazaphosphorin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1,3,2$l^{5}-benzoxazaphosphinin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1,3,2$l^{5}-benzoxazaphosphinin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-3,4-dihydro-1,3,2$l^{5}-benzoxazaphosphinin-2-amine
MOLECULAR FORMULA: C11H15Cl2N2O2P
MOLECULAR WEIGHT: 309.128761
SMILES: C1C2=CC=CC=C2OP(=O)(N1)N(CCCl)CCCl
Structure:
CAS RN: 24183-20-8
CAS Name: acetic acid [10,13-dimethyl-15-oxo-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-15-oxidanylidene-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H34O5
MOLECULAR WEIGHT: 426.54516
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3C(=O)CC4C5=COC(=O)C=C5)C)C
Structure:
CAS RN: 51869-38-6
CAS Name: acetic acid [10,13-dimethyl-16-oxo-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10,13-dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [10,13-dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-16-oxidanylidene-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H32O5
MOLECULAR WEIGHT: 424.52928
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3=CC(=O)C4C5=COC(=O)C=C5)C)C
Structure:
CAS RN: 31444-12-9
CAS Name: acetic acid [14-hydroxy-10,13-dimethyl-15-oxo-17-(6-oxo-3-pyranyl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [14-hydroxy-10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [14-hydroxy-10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-14-oxidanyl-15-oxidanylidene-17-(6-oxidanylidenepyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H34O6
MOLECULAR WEIGHT: 442.54456
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(C(=O)CC4C5=COC(=O)C=C5)O)C)C
Structure:
CAS RN: 4534-19-4
CAS Name: acetic acid [14,15-dihydroxy-10,13-dimethyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [14,15-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [14,15-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-14,15-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H36O6
MOLECULAR WEIGHT: 444.56044
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(C(CC4C5=COC(=O)C=C5)O)O)C)C
Structure:
CAS RN: 62799-65-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30O4
MOLECULAR WEIGHT: 382.4926
SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C
Structure:
CAS RN: 35455-33-5
CAS Name: 5-(diaminomethylideneamino)-2-[[8-[[14-hydroxy-10,13-dimethyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-1,8-dioxooctyl]amino]pentanoic acid
OPENEYE Name: 5-guanidino-2-[[8-[[14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxo-octanoyl]amino]pentanoic acid
IUPAC Name: 5-(diaminomethylideneamino)-2-[[8-[[14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid
SYSTEMATIC NAME: 5-[bis(azanyl)methylideneamino]-2-[[8-[[10,13-dimethyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxidanylidene-octanoyl]amino]pentanoic acid
MOLECULAR FORMULA: C38H58N4O8
MOLECULAR WEIGHT: 698.88912
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 24183-14-0
CAS Name: 5-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-pyranone
OPENEYE Name: 5-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
IUPAC Name: 5-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
SYSTEMATIC NAME: 5-(10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
MOLECULAR FORMULA: C24H30O3
MOLECULAR WEIGHT: 366.4932
SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C3=CCC4C5=COC(=O)C=C5)C
Structure:
CAS RN: 22612-50-6
CAS Name: acetic acid [10,13-dimethyl-17-(6-oxo-3-pyranyl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-oxidanylidenepyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H34O4
MOLECULAR WEIGHT: 410.54576
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3=CCC4C5=COC(=O)C=C5)C)C
Structure:
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