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

Systemtic Name: propyl 4-[(6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: propyl 4-[(6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid propyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(S3)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(S3)C

InChI

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