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

Systemtic Name: N4-(4-ethoxyphenyl)-6-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-benzyl-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(4-ethoxyphenyl)-6-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-4-N-(4-ethoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: benzyl-[4-methyl-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-3-28-17-11-9-16(10-12-17)23-19-18(25(26)27)14(2)22-20(24-19)21-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H2,21,22,23,24)