N-(3-chlorophenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(3-chlorophenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3-chlorophenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(3-chlorophenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3-chlorophenyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C20H19ClN6O2 MolecularWeight: 410.85686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN6O2/c21-15-5-4-6-16(13-15)24-19-18(27(28)29)20(23-14-22-19)26-11-9-25(10-12-26)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,22,23,24)