2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H12N6O2S/c1-7-12(21)19(14)13(18-17-7)22-6-10-15-9-5-3-2-4-8(9)11(20)16-10/h2-5H,6,14H2,1H3,(H,15,16,20)