N6-(2-methoxy-5-methyl-phenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methoxy-5-methyl-phenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-methoxy-5-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methoxy-5-methylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-methoxy-5-methylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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