2-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]ethanamine

Systemtic Name: 2-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]ethanamine Openeye Name: 2-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)ethanamine CAS Name: 2-[9-(phenylmethyl)-8-(1-pyrazolyl)-6-purinyl]ethanamine IUPAC Name: 2-(9-benzyl-8-pyrazol-1-ylpurin-6-yl)ethanamine Traditional Name: 2-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)ethylamine Formula: C17H17N7 MolecularWeight: 319.36378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2N4C=CC=N4)CCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2N4C=CC=N4)CCN

InChI

InChI=1S/C17H17N7/c18-8-7-14-15-16(20-12-19-14)23(11-13-5-2-1-3-6-13)17(22-15)24-10-4-9-21-24/h1-6,9-10,12H,7-8,11,18H2