N4-(2-dimethylphosphorylphenyl)-N2-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(2-dimethylphosphorylphenyl)-N2-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(2-dimethylphosphorylphenyl)-N2-[2-methoxy-4-(4-piperazin-1-yl-1-piperidyl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(2-dimethylphosphorylphenyl)-N2-[2-methoxy-4-[4-(1-piperazinyl)-1-piperidinyl]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]-[2-methoxy-4-(4-piperazinopiperidino)phenyl]amine Formula: C28H38N7O2P MolecularWeight: 535.620781

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCC(CC2)N3CCNCC3)NC4=NC=CC(=N4)NC5=CC=CC=C5P(=O)(C)C

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCC(CC2)N3CCNCC3)NC4=NC=CC(=N4)NC5=CC=CC=C5P(=O)(C)C

InChI

InChI=1S/C28H38N7O2P/c1-37-25-20-22(34-16-11-21(12-17-34)35-18-14-29-15-19-35)8-9-23(25)32-28-30-13-10-27(33-28)31-24-6-4-5-7-26(24)38(2,3)36/h4-10,13,20-21,29H,11-12,14-19H2,1-3H3,(H2,30,31,32,33)