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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C18H28N6O3S MolecularWeight: 408.51832

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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=NC=CN2C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CSC2=NC=CN2C

InChI

InChI=1S/C18H28N6O3S/c1-5-6-8-23(13(25)11-28-18-20-7-9-22(18)4)14-15(19)24(10-12(2)3)17(27)21-16(14)26/h7,9,12H,5-6,8,10-11,19H2,1-4H3,(H,21,26,27)