N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

InChI

InChI=1S/C20H28N6O2/c1-3-25(17-9-7-8-16(2)14-17)20-18(26(27)28)19(22-15-23-20)21-10-13-24-11-5-4-6-12-24/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,21,22,23)