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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N8O2/c1-17-5-3-6-19(18(17)2)28-11-13-29(14-12-28)22-20(30(31)32)21(25-15-26-22)24-7-4-9-27-10-8-23-16-27/h3,5-6,8,10,15-16H,4,7,9,11-14H2,1-2H3,(H,24,25,26)