N4-(3-methylphenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylphenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholinoethyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-morpholinoethyl-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-13-3-2-4-14(11-13)21-17-15(23(24)25)16(19-12-20-17)18-5-6-22-7-9-26-10-8-22/h2-4,11-12H,5-10H2,1H3,(H2,18,19,20,21)