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

Systemtic Name: 2-(3-methyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide Openeye Name: 2-(3-methyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide CAS Name: 2-[(3-methyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide Traditional Name: 2-[(4-keto-3-methyl-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(1-phenylbutyl)propionamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=C(C(=O)N2C)SC=C3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=C(C(=O)N2C)SC=C3

InChI

InChI=1S/C20H23N3O2S2/c1-4-8-15(14-9-6-5-7-10-14)21-18(24)13(2)27-20-22-16-11-12-26-17(16)19(25)23(20)3/h5-7,9-13,15H,4,8H2,1-3H3,(H,21,24)