methyl 4-oxidanylidene-2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(2-pyrimidinylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-pyrimidylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H12N4O3S MolecularWeight: 328.34578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=CC=N3

InChI

InChI=1S/C15H12N4O3S/c1-22-14(21)9-3-4-10-11(7-9)18-12(19-13(10)20)8-23-15-16-5-2-6-17-15/h2-7H,8H2,1H3,(H,18,19,20)