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

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butylacetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylacetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-acetamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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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=CC=C(C=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4S/c1-5-6-11-26(19-20(23)27(12-14(2)3)22(31)25-21(19)30)18(29)13-32-17-9-7-16(8-10-17)24-15(4)28/h7-10,14H,5-6,11-13,23H2,1-4H3,(H,24,28)(H,25,30,31)