N2-[[3-(aminomethyl)phenyl]methyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine

Systemtic Name: N2-[[3-(aminomethyl)phenyl]methyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine Openeye Name: N2-[[3-(aminomethyl)phenyl]methyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine CAS Name: N2-[[3-(aminomethyl)phenyl]methyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine IUPAC Name: 2-N-[[3-(aminomethyl)phenyl]methyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine Traditional Name: [3-(aminomethyl)benzyl]-[6-amino-9-propyl-8-(1H-pyrazol-5-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=CC(=C3)CN)N)N=C1C4=CC=NN4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCC3=CC=CC(=C3)CN)N)N=C1C4=CC=NN4

InChI

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