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

Systemtic Name: N-(3,4-dichlorophenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(3,4-dichlorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3,4-dichlorophenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(3,4-dichlorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3,4-dichlorophenyl)amine Formula: C22H21Cl2N5O2 MolecularWeight: 458.34044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21Cl2N5O2/c23-18-7-6-17(13-19(18)24)27-21-20(29(30)31)22(26-14-25-21)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,25,26,27)