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

Systemtic Name: methyl 3-[(6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 3-[(6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C16H14N2O3S/c1-10-6-13-14(22-10)17-9-18(15(13)19)8-11-4-3-5-12(7-11)16(20)21-2/h3-7,9H,8H2,1-2H3