N-[(2-chlorophenyl)methyl]-5-nitro-4-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine

Systemtic Name: N-[(2-chlorophenyl)methyl]-5-nitro-4-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine Openeye Name: N-[(2-chlorophenyl)methyl]-5-nitro-4-[4-(4-piperidyl)-1-piperidyl]pyrimidin-2-amine CAS Name: N-[(2-chlorophenyl)methyl]-5-nitro-4-[4-(4-piperidinyl)-1-piperidinyl]-2-pyrimidinamine IUPAC Name: N-[(2-chlorophenyl)methyl]-5-nitro-4-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine Traditional Name: (2-chlorobenzyl)-[5-nitro-4-[4-(4-piperidyl)piperidino]pyrimidin-2-yl]amine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CNCCC1C2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H27ClN6O2/c22-18-4-2-1-3-17(18)13-24-21-25-14-19(28(29)30)20(26-21)27-11-7-16(8-12-27)15-5-9-23-10-6-15/h1-4,14-16,23H,5-13H2,(H,24,25,26)