N4-[(4-methylphenyl)methyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methylphenyl)methyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(1-piperidyl)ethyl]-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[(4-methylphenyl)methyl]-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methylphenyl)methyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O2/c1-15-5-7-16(8-6-15)13-21-19-17(25(26)27)18(22-14-23-19)20-9-12-24-10-3-2-4-11-24/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,23)