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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[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:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN6O3/c1-32-19-8-6-18(7-9-19)27-10-12-28(13-11-27)22-20(29(30)31)21(25-15-26-22)24-14-16-2-4-17(23)5-3-16/h2-9,15H,10-14H2,1H3,(H,24,25,26)