N2-[[4-(aminomethyl)phenyl]methyl]-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: N2-[[4-(aminomethyl)phenyl]methyl]-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-[[4-(aminomethyl)phenyl]methyl]-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-[[4-(aminomethyl)phenyl]methyl]-9-propyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-[[4-(aminomethyl)phenyl]methyl]-9-propyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: [4-(aminomethyl)benzyl]-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)amine Formula: C19H23N9 MolecularWeight: 377.44622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)CN)N)N=C1N4C=CC=N4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)CN)N)N=C1N4C=CC=N4

InChI

InChI=1S/C19H23N9/c1-2-9-27-17-15(24-19(27)28-10-3-8-23-28)16(21)25-18(26-17)22-12-14-6-4-13(11-20)5-7-14/h3-8,10H,2,9,11-12,20H2,1H3,(H3,21,22,25,26)