8-(4-methylpyrazol-1-yl)-N2-[(1S)-1-phenylethyl]-9-propyl-purine-2,6-diamine

Systemtic Name: 8-(4-methylpyrazol-1-yl)-N2-[(1S)-1-phenylethyl]-9-propyl-purine-2,6-diamine Openeye Name: 8-(4-methylpyrazol-1-yl)-N2-[(1S)-1-phenylethyl]-9-propyl-purine-2,6-diamine CAS Name: 8-(4-methyl-1-pyrazolyl)-N2-[(1S)-1-phenylethyl]-9-propylpurine-2,6-diamine IUPAC Name: 8-(4-methylpyrazol-1-yl)-2-N-[(1S)-1-phenylethyl]-9-propylpurine-2,6-diamine Traditional Name: [6-amino-8-(4-methylpyrazol-1-yl)-9-propyl-purin-2-yl]-[(1S)-1-phenylethyl]amine Formula: C20H24N8 MolecularWeight: 376.45816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(C)C3=CC=CC=C3)N)N=C1N4C=C(C=N4)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)N[C@@H](C)C3=CC=CC=C3)N)N=C1N4C=C(C=N4)C

InChI

InChI=1S/C20H24N8/c1-4-10-27-18-16(24-20(27)28-12-13(2)11-22-28)17(21)25-19(26-18)23-14(3)15-8-6-5-7-9-15/h5-9,11-12,14H,4,10H2,1-3H3,(H3,21,23,25,26)/t14-/m0/s1