2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)C5CC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)C5CC5)OC

InChI

InChI=1S/C19H21N5O3S/c1-26-14-7-12-13(8-15(14)27-2)20-16(21-18(12)25)9-28-19-23-22-17(10-3-4-10)24(19)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,20,21,25)