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

Systemtic Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (4-methoxyphenyl)-[6-methyl-5-nitro-2-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCN(CC2)C3=CC=CC=C3)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCN(CC2)C3=CC=CC=C3)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-16-20(28(29)30)21(24-17-8-10-19(31-2)11-9-17)25-22(23-16)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,24,25)