propyl 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate

Systemtic Name: propyl 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: propyl 2-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid propyl ester IUPAC Name: propyl 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid propyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC(=O)C(CC)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N2O3S/c1-4-10-25-20(24)16(5-2)22-12-21-18-17(19(22)23)15(11-26-18)14-8-6-13(3)7-9-14/h6-9,11-12,16H,4-5,10H2,1-3H3