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

Systemtic Name: propan-2-yl 3-[(6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-11(2)23-18(22)14-6-4-5-13(8-14)9-20-10-19-16-15(17(20)21)7-12(3)24-16/h4-8,10-11H,9H2,1-3H3