N4-(4-ethoxyphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-ethoxyphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-N4-(4-ethoxyphenyl)-N2-methyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-ethoxyphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-4-N-(4-ethoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]-benzyl-methyl-amine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O3/c1-3-29-16-11-9-15(10-12-16)22-19-17(26(27)28)18(21)23-20(24-19)25(2)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H3,21,22,23,24)