methyl 4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-propyl-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-propyl-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C13H14N2O3S/c1-3-6-15-11(16)9-5-4-8(12(17)18-2)7-10(9)14-13(15)19/h4-5,7H,3,6H2,1-2H3,(H,14,19)