2-(2-dimethylaminoethyl)-1-[(E)-3-[10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]propylideneamino]guanidine

Systemtic Name: 2-(2-dimethylaminoethyl)-1-[(E)-3-[10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]propylideneamino]guanidine Openeye Name: 1-[(E)-3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propylideneamino]-2-(2-dimethylaminoethyl)guanidine CAS Name: 1-[(E)-3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propylideneamino]-2-(2-dimethylaminoethyl)guanidine IUPAC Name: 1-[(E)-3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propylideneamino]-2-(2-dimethylaminoethyl)guanidine Traditional Name: 1-[(E)-3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)propylideneamino]-2-(2-dimethylaminoethyl)guanidine Formula: C27H49N5O2 MolecularWeight: 475.71026

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3(CCC4CCC=NNC(=NCCN(C)C)N)O)C)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CCC4(C3(CCC4CC/C=N/NC(=NCCN(C)C)N)O)C)O

InChI

InChI=1S/C27H49N5O2/c1-25-12-10-21(33)18-20(25)7-8-23-22(25)11-13-26(2)19(9-14-27(23,26)34)6-5-15-30-31-24(28)29-16-17-32(3)4/h15,19-23,33-34H,5-14,16-18H2,1-4H3,(H3,28,29,31)/b30-15+