methyl 3-[3-(diethylamino)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[3-(diethylamino)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[3-(diethylamino)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-(diethylamino)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(diethylamino)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[3-(diethylamino)propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-4-19(5-2)9-6-10-20-15(21)13-8-7-12(16(22)23-3)11-14(13)18-17(20)24/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,24)