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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O3/c1-16-13-18(7-8-19(16)23)31-22-20(28(29)30)21(24-15-25-22)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3