methyl 4-oxidanylidene-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H15N5O3S2 MolecularWeight: 425.4841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C19H15N5O3S2/c1-27-17(26)11-7-8-13-14(9-11)21-15(22-16(13)25)10-28-19-24-23-18(29-19)20-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,23)(H,21,22,25)