2-[[4-azanyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H22N6O2S MolecularWeight: 422.50338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C21H22N6O2S/c1-12-6-5-9-15-18(12)23-16(24-20(15)28)11-30-21-26-25-17(27(21)22)10-29-19-13(2)7-4-8-14(19)3/h4-9H,10-11,22H2,1-3H3,(H,23,24,28)