3-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N-[4-[(4-methoxyphenyl)amino]phenyl]-3-oxidanylidene-propanamide

Systemtic Name: 3-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N-[4-[(4-methoxyphenyl)amino]phenyl]-3-oxidanylidene-propanamide Openeye Name: 3-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]phenyl]-N-[4-(4-methoxyanilino)phenyl]-3-oxo-propanamide CAS Name: 3-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]-N-[4-(4-methoxyanilino)phenyl]-3-oxopropanamide IUPAC Name: 3-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N-[4-(4-methoxyanilino)phenyl]-3-oxopropanamide Traditional Name: 3-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]phenyl]-3-keto-N-[4-(p-anisidino)phenyl]propionamide Formula: C35H44N12O3 MolecularWeight: 680.80246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=C(C=C3)NC4=NC(=NC(=N4)N5CC(CC(C5)N)N)N6CC(CC(C6)N)N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=C(C=C3)NC4=NC(=NC(=N4)N5CC(CC(C5)N)N)N6CC(CC(C6)N)N

InChI

InChI=1S/C35H44N12O3/c1-50-30-12-10-27(11-13-30)40-26-6-8-28(9-7-26)41-32(49)16-31(48)21-2-4-29(5-3-21)42-33-43-34(46-17-22(36)14-23(37)18-46)45-35(44-33)47-19-24(38)15-25(39)20-47/h2-13,22-25,40H,14-20,36-39H2,1H3,(H,41,49)(H,42,43,44,45)