3-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-butylphenyl)-2-oxo-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-butylphenyl)-2-oxoethyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-butylphenyl)-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-butylphenyl)-2-keto-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H24N2O2S/c1-3-4-8-18-11-13-19(14-12-18)21(28)15-27-16-26-24-22(25(27)29)17(2)23(30-24)20-9-6-5-7-10-20/h5-7,9-14,16H,3-4,8,15H2,1-2H3