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

Systemtic Name: N4-(4-ethoxyphenyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-ethoxyphenyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(benzylamino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

InChI

InChI=1S/C19H20N6O3/c1-2-28-15-10-8-14(9-11-15)22-18-16(25(26)27)17(20)23-19(24-18)21-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H4,20,21,22,23,24)