methyl 4-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 4-[(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c1-14-18(16-6-4-3-5-7-16)19-20(28-14)23-13-24(21(19)25)12-15-8-10-17(11-9-15)22(26)27-2/h3-11,13H,12H2,1-2H3