N-cycloheptyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cycloheptyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cycloheptyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cycloheptyl-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cycloheptyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cycloheptyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4CCCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4CCCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H32N6O2/c1-17-8-7-11-20(18(17)2)27-12-14-28(15-13-27)23-21(29(30)31)22(24-16-25-23)26-19-9-5-3-4-6-10-19/h7-8,11,16,19H,3-6,9-10,12-15H2,1-2H3,(H,24,25,26)