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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2/c1-17-7-9-18(10-8-17)15-23-21-20(28(29)30)22(25-16-24-21)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3,(H,23,24,25)