N-(3,5-dimethylphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3,5-dimethylphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3,5-dimethylphenyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3,5-dimethylphenyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3,5-dimethylphenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3,5-dimethylphenyl)-[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)NC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-12-8-13(2)10-15(9-12)21-17-16(23(24)25)18(20-11-19-17)22-7-5-4-6-14(22)3/h8-11,14H,4-7H2,1-3H3,(H,19,20,21)