4-(4-methylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-methylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-methylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-(4-methylphenoxy)-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(4-methylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-methylphenoxy)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-16-7-9-18(10-8-16)29-21-19(26(27)28)20(22-15-23-21)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3