N2-[2-(1H-indol-3-yl)ethyl]-N2-(2-methoxyethyl)-N4-(4-methylphenyl)-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[2-(1H-indol-3-yl)ethyl]-N2-(2-methoxyethyl)-N4-(4-methylphenyl)-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-[2-(1H-indol-3-yl)ethyl]-N2-(2-methoxyethyl)-6-(1-piperidyl)-N4-(p-tolyl)pyrimidine-2,4-diamine CAS Name: N2-[2-(1H-indol-3-yl)ethyl]-N2-(2-methoxyethyl)-N4-(4-methylphenyl)-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: 2-(1H-indol-3-yl)ethyl-(2-methoxyethyl)-[4-piperidino-6-(p-toluidino)pyrimidin-2-yl]amine Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCCCC3)N(CCC4=CNC5=CC=CC=C54)CCOC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCCCC3)N(CCC4=CNC5=CC=CC=C54)CCOC

InChI

InChI=1S/C29H36N6O/c1-22-10-12-24(13-11-22)31-27-20-28(34-15-6-3-7-16-34)33-29(32-27)35(18-19-36-2)17-14-23-21-30-26-9-5-4-8-25(23)26/h4-5,8-13,20-21,30H,3,6-7,14-19H2,1-2H3,(H,31,32,33)