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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5,6-dimethyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-5,6-dimethyl-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S2/c1-13-14(2)27-18-17(13)19(25)23(11-15-9-7-6-8-10-15)20(22-18)26-12-16(24)21(3,4)5/h6-10H,11-12H2,1-5H3