(3S)-3,7-bis(azanyl)-N-methyl-N-(6-oxidanylidene-2-phenylazanyl-4,5-dihydro-1H-pyrimidin-5-yl)heptanamide

Systemtic Name: (3S)-3,7-bis(azanyl)-N-methyl-N-(6-oxidanylidene-2-phenylazanyl-4,5-dihydro-1H-pyrimidin-5-yl)heptanamide Openeye Name: (3S)-3,7-diamino-N-(2-anilino-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-N-methyl-heptanamide CAS Name: (3S)-3,7-diamino-N-(2-anilino-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-N-methylheptanamide IUPAC Name: (3S)-3,7-diamino-N-(2-anilino-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-N-methylheptanamide Traditional Name: (3S)-3,7-diamino-N-(2-anilino-6-keto-4,5-dihydro-1H-pyrimidin-5-yl)-N-methyl-enanthamide Formula: C18H28N6O2 MolecularWeight: 360.45392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN=C(NC1=O)NC2=CC=CC=C2)C(=O)CC(CCCCN)N

Isomeric SMILES

CN(C1CN=C(NC1=O)NC2=CC=CC=C2)C(=O)C[C@H](CCCCN)N

InChI

InChI=1S/C18H28N6O2/c1-24(16(25)11-13(20)7-5-6-10-19)15-12-21-18(23-17(15)26)22-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12,19-20H2,1H3,(H2,21,22,23,26)/t13-,15?/m0/s1