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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN4O3S/c1-4-6-10-25(17(27)13-30-16-9-8-15(22)12-14(16)3)18-19(23)26(11-7-5-2)21(29)24-20(18)28/h8-9,12H,4-7,10-11,13,23H2,1-3H3,(H,24,28,29)