N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN6O2/c22-17-8-6-16(7-9-17)14-23-20-19(28(29)30)21(25-15-24-20)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H,23,24,25)