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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-bromophenyl)sulfanyl-N-butyl-ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenyl)sulfanyl-N-butyl-acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-[(4-bromophenyl)thio]-N-butylacetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-bromophenyl)sulfanyl-N-butylacetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-2-[(4-bromophenyl)thio]-N-butyl-acetamide Formula: C20H27BrN4O3S MolecularWeight: 483.42238

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN4O3S/c1-4-5-10-24(16(26)12-29-15-8-6-14(21)7-9-15)17-18(22)25(11-13(2)3)20(28)23-19(17)27/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,27,28)