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

Systemtic Name: N4-(2-methoxy-5-methyl-phenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-5-methyl-phenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(2-methoxy-5-methylphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methoxy-5-methylphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]-phenethyl-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)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-14-8-9-17(28-2)16(12-14)24-20-18(25(26)27)19(22-13-23-20)21-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,24)