N6-(2,3-dimethylphenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dimethylphenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-13-8-7-11-17(14(13)2)24-20-18(25(26)27)19(21-12-22-20)23-15(3)16-9-5-4-6-10-16/h4-12,15H,1-3H3,(H2,21,22,23,24)