N2-(phenylmethyl)-8-pyrazol-1-yl-9-(3-pyridin-4-ylpropyl)purine-2,6-diamine

Systemtic Name: N2-(phenylmethyl)-8-pyrazol-1-yl-9-(3-pyridin-4-ylpropyl)purine-2,6-diamine Openeye Name: N2-benzyl-8-pyrazol-1-yl-9-[3-(4-pyridyl)propyl]purine-2,6-diamine CAS Name: N2-(phenylmethyl)-8-(1-pyrazolyl)-9-(3-pyridin-4-ylpropyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-8-pyrazol-1-yl-9-(3-pyridin-4-ylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-pyrazol-1-yl-9-[3-(4-pyridyl)propyl]purin-2-yl]-benzyl-amine Formula: C23H23N9 MolecularWeight: 425.48902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=C(C(=N2)N)N=C(N3CCCC4=CC=NC=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=C(C(=N2)N)N=C(N3CCCC4=CC=NC=C4)N5C=CC=N5

InChI

InChI=1S/C23H23N9/c24-20-19-21(30-22(29-20)26-16-18-6-2-1-3-7-18)31(23(28-19)32-15-5-11-27-32)14-4-8-17-9-12-25-13-10-17/h1-3,5-7,9-13,15H,4,8,14,16H2,(H3,24,26,29,30)