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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-keto-1H-quinoline-4-carboxamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H25N5O4/c1-3-5-11-25(17-18(22)26(10-4-2)21(30)24-19(17)28)20(29)14-12-16(27)23-15-9-7-6-8-13(14)15/h6-9,12H,3-5,10-11,22H2,1-2H3,(H,23,27)(H,24,28,30)