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

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H20N6O4S MolecularWeight: 440.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C20H20N6O4S/c1-28-14-7-5-4-6-11(14)18-24-25-20(26(18)21)31-10-17-22-13-9-16(30-3)15(29-2)8-12(13)19(27)23-17/h4-9H,10,21H2,1-3H3,(H,22,23,27)