N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-methylbutyl)quinoline-2-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-methylbutyl)quinoline-2-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-quinoline-2-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(3-methylbutyl)-2-quinolinecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)quinoline-2-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-quinaldamide Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27N5O3/c1-17(2)14-15-30(25(33)21-13-12-19-10-6-7-11-20(19)28-21)22-23(27)31(26(34)29-24(22)32)16-18-8-4-3-5-9-18/h3-13,17H,14-16,27H2,1-2H3,(H,29,32,34)