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

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-keto-3,3-dimethyl-butyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c1-18(2,3)15(21)10-20-11-19-16-13(17(20)22)9-14(23-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3