N2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine CAS Name: N2-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-[(4-methylpiperazino)methyl]anilino]pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C28H30N6O MolecularWeight: 466.5774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O/c1-33-16-18-34(19-17-33)21-22-6-5-7-24(20-22)31-28-29-15-14-27(32-28)30-23-10-12-26(13-11-23)35-25-8-3-2-4-9-25/h2-15,20H,16-19,21H2,1H3,(H2,29,30,31,32)