9-[2-(4-methoxyphenyl)ethyl]-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: 9-[2-(4-methoxyphenyl)ethyl]-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-[2-(4-methoxyphenyl)ethyl]-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-[2-(4-methoxyphenyl)ethyl]-N2-(phenylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-[2-(4-methoxyphenyl)ethyl]-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: [6-amino-9-[2-(4-methoxyphenyl)ethyl]-8-pyrazol-1-yl-purin-2-yl]-benzyl-amine Formula: C24H24N8O MolecularWeight: 440.50036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)N=C2N5C=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)N=C2N5C=CC=N5

InChI

InChI=1S/C24H24N8O/c1-33-19-10-8-17(9-11-19)12-15-31-22-20(28-24(31)32-14-5-13-27-32)21(25)29-23(30-22)26-16-18-6-3-2-4-7-18/h2-11,13-14H,12,15-16H2,1H3,(H3,25,26,29,30)