N-cyclohexyl-7-(phenylmethyl)-2-pyrazol-1-yl-purin-6-amine

Systemtic Name: N-cyclohexyl-7-(phenylmethyl)-2-pyrazol-1-yl-purin-6-amine Openeye Name: 7-benzyl-N-cyclohexyl-2-pyrazol-1-yl-purin-6-amine CAS Name: N-cyclohexyl-7-(phenylmethyl)-2-(1-pyrazolyl)-6-purinamine IUPAC Name: 7-benzyl-N-cyclohexyl-2-pyrazol-1-ylpurin-6-amine Traditional Name: (7-benzyl-2-pyrazol-1-yl-purin-6-yl)-cyclohexyl-amine Formula: C21H23N7 MolecularWeight: 373.45422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=C2N(C=N3)CC4=CC=CC=C4)N5C=CC=N5

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=C2N(C=N3)CC4=CC=CC=C4)N5C=CC=N5

InChI

InChI=1S/C21H23N7/c1-3-8-16(9-4-1)14-27-15-22-19-18(27)20(24-17-10-5-2-6-11-17)26-21(25-19)28-13-7-12-23-28/h1,3-4,7-9,12-13,15,17H,2,5-6,10-11,14H2,(H,24,25,26)