N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-(4-oxidanylidenecinnolin-1-yl)propanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-(4-oxidanylidenecinnolin-1-yl)propanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(4-oxocinnolin-1-yl)propanamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-3-(4-oxo-1-cinnolinyl)propanamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-(4-ketocinnolin-1-yl)propionamide Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C26H28N6O4/c1-2-3-14-30(22(34)13-15-32-20-12-8-7-11-19(20)21(33)16-28-32)23-24(27)31(26(36)29-25(23)35)17-18-9-5-4-6-10-18/h4-12,16H,2-3,13-15,17,27H2,1H3,(H,29,35,36)