4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[(2,5-dimethylbenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)SC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C27H29N3O2S2/c1-19-10-11-20(2)22(17-19)18-34-27-29-23-13-16-33-25(23)26(32)30(27)15-6-9-24(31)28-14-12-21-7-4-3-5-8-21/h3-5,7-8,10-11,13,16-17H,6,9,12,14-15,18H2,1-2H3,(H,28,31)