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

Systemtic Name: 6,7-dimethoxy-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4=CC=NC=C4

Isomeric SMILES

COCCN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6O4S/c1-29-9-8-27-19(13-4-6-22-7-5-13)25-26-21(27)32-12-18-23-15-11-17(31-3)16(30-2)10-14(15)20(28)24-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,24,28)