3-(3,3-dimethyl-2-oxidanylidene-butyl)-5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzyl-3-(3,3-dimethyl-2-oxo-butyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-5,6-dimethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-benzyl-3-(3,3-dimethyl-2-oxobutyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-benzyl-3-(2-keto-3,3-dimethyl-butyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H24N2O2S/c1-13-14(2)26-19-18(13)20(25)23(12-16(24)21(3,4)5)17(22-19)11-15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3