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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-bromophenyl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenyl)sulfanyl-N-methyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(4-bromophenyl)thio]-N-methylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-bromophenyl)sulfanyl-N-methylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[(4-bromophenyl)thio]-N-methyl-acetamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CSC2=CC=C(C=C2)Br)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CSC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C17H21BrN4O3S/c1-3-4-9-22-15(19)14(16(24)20-17(22)25)21(2)13(23)10-26-12-7-5-11(18)6-8-12/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,24,25)