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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(2,5-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(2,5-dimethylphenyl)sulfanyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(2,5-dimethylphenyl)thio]acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-5-7-11-24(17(26)13-29-16-12-14(3)8-9-15(16)4)18-19(22)25(10-6-2)21(28)23-20(18)27/h8-9,12H,5-7,10-11,13,22H2,1-4H3,(H,23,27,28)