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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-keto-1H-quinoline-4-carboxamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=O)NC3=CC=CC=C32)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=O)NC3=CC=CC=C32)N

InChI

InChI=1S/C22H27N5O4/c1-3-5-11-26(18-19(23)27(12-6-4-2)22(31)25-20(18)29)21(30)15-13-17(28)24-16-10-8-7-9-14(15)16/h7-10,13H,3-6,11-12,23H2,1-2H3,(H,24,28)(H,25,29,31)