N4-[(4-methylphenyl)methyl]-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methylphenyl)methyl]-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholinoethyl)-5-nitro-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[(4-methylphenyl)methyl]-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methylphenyl)methyl]-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-14-2-4-15(5-3-14)12-20-18-16(24(25)26)17(21-13-22-18)19-6-7-23-8-10-27-11-9-23/h2-5,13H,6-12H2,1H3,(H2,19,20,21,22)