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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-chloro-3-pyridyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-chloropyridin-3-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H22ClN7O2 MolecularWeight: 439.89808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H22ClN7O2/c1-14-5-3-7-17(15(14)2)27-9-11-28(12-10-27)21-18(29(30)31)20(24-13-25-21)26-16-6-4-8-23-19(16)22/h3-8,13H,9-12H2,1-2H3,(H,24,25,26)