5-(3,4-dimethylphenyl)-3-(3-oxidanylidenebutyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethylphenyl)-3-(3-oxidanylidenebutyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-3-(3-oxobutyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-3-(3-oxobutyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethylphenyl)-3-(3-oxobutyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-3-(3-ketobutyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)C)C

InChI

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