6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-cycloheptyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H27ClN6O2/c22-16-6-5-9-18(14-16)26-10-12-27(13-11-26)21-19(28(29)30)20(23-15-24-21)25-17-7-3-1-2-4-8-17/h5-6,9,14-15,17H,1-4,7-8,10-13H2,(H,23,24,25)