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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-butyl-ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromo-2-methyl-phenyl)sulfanyl-N-butyl-acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-[(4-bromo-2-methylphenyl)thio]-N-butylacetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-bromo-2-methylphenyl)sulfanyl-N-butylacetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-2-[(4-bromo-2-methyl-phenyl)thio]-N-butyl-acetamide Formula: C21H29BrN4O3S MolecularWeight: 497.44896

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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=C(C=C(C=C2)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN4O3S/c1-5-6-9-25(17(27)12-30-16-8-7-15(22)10-14(16)4)18-19(23)26(11-13(2)3)21(29)24-20(18)28/h7-8,10,13H,5-6,9,11-12,23H2,1-4H3,(H,24,28,29)