N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-2-(2-quinolinylthio)acetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(2-quinolylthio)acetamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H29N5O3S/c1-4-5-12-27(20-21(24)28(13-15(2)3)23(31)26-22(20)30)19(29)14-32-18-11-10-16-8-6-7-9-17(16)25-18/h6-11,15H,4-5,12-14,24H2,1-3H3,(H,26,30,31)