4-(4-chloranyl-3-methyl-phenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidine Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C22H22ClN5O4/c1-15-13-18(7-8-19(15)23)32-22-20(28(29)30)21(24-14-25-22)27-11-9-26(10-12-27)16-3-5-17(31-2)6-4-16/h3-8,13-14H,9-12H2,1-2H3