methyl 4-oxidanylidene-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(4-thieno[2,3-d]pyrimidinylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H12N4O3S2 MolecularWeight: 384.43218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C17H12N4O3S2/c1-24-17(23)9-2-3-10-12(6-9)20-13(21-14(10)22)7-26-16-11-4-5-25-15(11)18-8-19-16/h2-6,8H,7H2,1H3,(H,20,21,22)