9-(cyclohexylmethyl)-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: 9-(cyclohexylmethyl)-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-(cyclohexylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-(cyclohexylmethyl)-N2-(phenylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-(cyclohexylmethyl)-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: [6-amino-9-(cyclohexylmethyl)-8-pyrazol-1-yl-purin-2-yl]-benzyl-amine Formula: C22H26N8 MolecularWeight: 402.49544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)N=C2N5C=CC=N5

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)N=C2N5C=CC=N5

InChI

InChI=1S/C22H26N8/c23-19-18-20(28-21(27-19)24-14-16-8-3-1-4-9-16)29(15-17-10-5-2-6-11-17)22(26-18)30-13-7-12-25-30/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H3,23,24,27,28)