N2-cyclohexyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-cyclohexyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-cyclohexyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-cyclohexyl-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-cyclohexyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-cyclohexyl-amine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c23-20-19(28(29)30)21(26-22(25-20)24-18-9-5-2-6-10-18)27-13-11-17(12-14-27)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H3,23,24,25,26)