N6-ethyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-ethyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-ethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-ethyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H15N5O2 MolecularWeight: 273.2905

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C13H15N5O2/c1-2-14-12-11(18(19)20)13(17-9-16-12)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,14,15,16,17)