N6-[(4-methylphenyl)methyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c1-14-8-10-16(11-9-14)12-21-19-18(25(26)27)20(23-13-22-19)24-15(2)17-6-4-3-5-7-17/h3-11,13,15H,12H2,1-2H3,(H2,21,22,23,24)