5-nitro-N-(phenylmethyl)-2-(1,2,3,4-tetrazol-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(phenylmethyl)-2-(1,2,3,4-tetrazol-1-yl)pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-2-(tetrazol-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-2-(1-tetrazolyl)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-2-(tetrazol-1-yl)pyrimidin-4-amine Traditional Name: benzyl-[5-nitro-2-(tetrazol-1-yl)pyrimidin-4-yl]amine Formula: C12H10N8O2 MolecularWeight: 298.2602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])N3C=NN=N3

InChI

InChI=1S/C12H10N8O2/c21-20(22)10-7-14-12(19-8-15-17-18-19)16-11(10)13-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14,16)