3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(2,4-diaminopyrimidin-5-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2,4-diamino-5-pyrimidinyl)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2,4-diaminopyrimidin-5-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(2,4-diaminopyrimidin-5-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C12H11N7O MolecularWeight: 269.26204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CN=C(N=C3N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C12H11N7O/c13-10-7(5-15-12(14)16-10)6-19-11(20)8-3-1-2-4-9(8)17-18-19/h1-5H,6H2,(H4,13,14,15,16)