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

Systemtic Name: methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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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(N3C4CC4)C5CC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C19H19N5O3S/c1-27-18(26)11-4-7-13-14(8-11)20-15(21-17(13)25)9-28-19-23-22-16(10-2-3-10)24(19)12-5-6-12/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,20,21,25)