5-nitro-N2,N2-bis(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2,N2-bis(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2,N2-dibenzyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2,N2-bis(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N,2-N-dibenzyl-5-nitropyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-pyrimidin-2-yl)-dibenzyl-amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=C(C(=N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=C(C(=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c19-17-16(23(24)25)11-20-18(21-17)22(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20,21)