N4-[(4-methylphenyl)methyl]-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methylphenyl)methyl]-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[(4-methylphenyl)methyl]-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methylphenyl)methyl]-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3/c1-15-3-5-16(6-4-15)13-21-19-17(25(26)27)18(22-14-23-19)20-7-2-8-24-9-11-28-12-10-24/h3-6,14H,2,7-13H2,1H3,(H2,20,21,22,23)