6-(benzotriazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H12N8O2 MolecularWeight: 348.31888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N8O2/c25-24(26)14-15(18-9-11-4-3-7-17-8-11)19-10-20-16(14)23-13-6-2-1-5-12(13)21-22-23/h1-8,10H,9H2,(H,18,19,20)