N-(3-methylphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-methylphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-17-6-5-9-20(14-17)26-22-21(28(29)30)23(25-16-24-22)27-12-10-19(11-13-27)15-18-7-3-2-4-8-18/h2-9,14,16,19H,10-13,15H2,1H3,(H,24,25,26)