N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-[(7-methoxy-4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[(7-methoxy-4-methyl-2-quinolyl)thio]acetamide Formula: C28H31N5O4S MolecularWeight: 533.64184

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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)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C

InChI

InChI=1S/C28H31N5O4S/c1-4-5-13-32(25-26(29)33(28(36)31-27(25)35)16-19-9-7-6-8-10-19)24(34)17-38-23-14-18(2)21-12-11-20(37-3)15-22(21)30-23/h6-12,14-15H,4-5,13,16-17,29H2,1-3H3,(H,31,35,36)