N-[(4-methylphenyl)methyl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(2-methyl-1-piperidyl)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-methylbenzyl)-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-13-6-8-15(9-7-13)11-19-17-16(23(24)25)18(21-12-20-17)22-10-4-3-5-14(22)2/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,19,20,21)