6-(benzotriazol-1-yl)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-benzyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-benzyl-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C17H13N7O2 MolecularWeight: 347.33082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H13N7O2/c25-24(26)15-16(18-10-12-6-2-1-3-7-12)19-11-20-17(15)23-14-9-5-4-8-13(14)21-22-23/h1-9,11H,10H2,(H,18,19,20)