N-(5-chloranyl-2-methyl-phenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H23ClN6O3 MolecularWeight: 454.90942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23ClN6O3/c1-15-3-4-16(23)13-19(15)26-21-20(29(30)31)22(25-14-24-21)28-11-9-27(10-12-28)17-5-7-18(32-2)8-6-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)