3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C12H10N6O2S MolecularWeight: 302.3118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C12H10N6O2S/c13-9-5-10(19)15-12(14-9)21-6-18-11(20)7-3-1-2-4-8(7)16-17-18/h1-5H,6H2,(H3,13,14,15,19)