6-methyl-5-nitro-N-(phenylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 6-methyl-5-nitro-N-(phenylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-benzyl-6-methyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 6-methyl-5-nitro-N-(phenylmethyl)-2-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-methyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: benzyl-[6-methyl-5-nitro-2-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCN(CC2)C3=CC=CC=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCN(CC2)C3=CC=CC=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

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