3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methoxy-2-methyl-quinazolin-4-one

Systemtic Name: 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methoxy-2-methyl-quinazolin-4-one Openeye Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methoxy-2-methyl-quinazolin-4-one CAS Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-6-methoxy-2-methyl-4-quinazolinone IUPAC Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methoxy-2-methylquinazolin-4-one Traditional Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-6-methoxy-2-methyl-quinazolin-4-one Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=O)N1CSC3=NN=CN3N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=O)N1CSC3=NN=CN3N

InChI

InChI=1S/C13H14N6O2S/c1-8-16-11-4-3-9(21-2)5-10(11)12(20)18(8)7-22-13-17-15-6-19(13)14/h3-6H,7,14H2,1-2H3