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

Systemtic Name: N-(3-aminophenyl)-3-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-3-oxidanylidene-propanamide Openeye Name: N-(3-aminophenyl)-3-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]phenyl]-3-oxo-propanamide CAS Name: N-(3-aminophenyl)-3-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]-3-oxopropanamide IUPAC Name: N-(3-aminophenyl)-3-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-3-oxopropanamide Traditional Name: N-(3-aminophenyl)-3-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]phenyl]-3-keto-propionamide Formula: C28H38N12O2 MolecularWeight: 574.68052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)CC(=O)NC4=CC=CC(=C4)N)N5CC(CC(C5)N)N)N

Isomeric SMILES

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)CC(=O)NC4=CC=CC(=C4)N)N5CC(CC(C5)N)N)N

InChI

InChI=1S/C28H38N12O2/c29-17-2-1-3-23(10-17)34-25(42)11-24(41)16-4-6-22(7-5-16)35-26-36-27(39-12-18(30)8-19(31)13-39)38-28(37-26)40-14-20(32)9-21(33)15-40/h1-7,10,18-21H,8-9,11-15,29-33H2,(H,34,42)(H,35,36,37,38)