N-(1-phenylbutyl)-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-phenylbutyl)-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-phenylbutyl)-2-(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1-phenylbutyl)-2-[(3,5,6-trimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-phenylbutyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(1-phenylbutyl)propionamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2C

InChI

InChI=1S/C22H27N3O2S2/c1-6-10-17(16-11-8-7-9-12-16)23-19(26)15(4)29-22-24-20-18(21(27)25(22)5)13(2)14(3)28-20/h7-9,11-12,15,17H,6,10H2,1-5H3,(H,23,26)