4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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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=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O3/c1-15-13-17(7-8-18(15)22)30-21-19(27(28)29)20(23-14-24-21)26-11-9-25(10-12-26)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3