N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-keto-1H-quinoline-4-carboxamide Formula: C25H25N5O4 MolecularWeight: 459.4971

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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)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C25H25N5O4/c1-2-3-13-29(24(33)18-14-20(31)27-19-12-8-7-11-17(18)19)21-22(26)30(25(34)28-23(21)32)15-16-9-5-4-6-10-16/h4-12,14H,2-3,13,15,26H2,1H3,(H,27,31)(H,28,32,34)