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

Systemtic Name: methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C13H11N5O3S2 MolecularWeight: 349.38814

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3S2/c1-21-11(20)6-2-3-7-8(4-6)15-9(16-10(7)19)5-22-13-18-17-12(14)23-13/h2-4H,5H2,1H3,(H2,14,17)(H,15,16,19)