N2-[2-(4-chlorophenyl)ethyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine

Systemtic Name: N2-[2-(4-chlorophenyl)ethyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine Openeye Name: N2-[2-(4-chlorophenyl)ethyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine CAS Name: N2-[2-(4-chlorophenyl)ethyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine IUPAC Name: 2-N-[2-(4-chlorophenyl)ethyl]-9-propyl-8-(1H-pyrazol-5-yl)purine-2,6-diamine Traditional Name: [6-amino-9-propyl-8-(1H-pyrazol-5-yl)purin-2-yl]-[2-(4-chlorophenyl)ethyl]amine Formula: C19H21ClN8 MolecularWeight: 396.87664

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=C(C=C3)Cl)N)N=C1C4=CC=NN4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=C(C=C3)Cl)N)N=C1C4=CC=NN4

InChI

InChI=1S/C19H21ClN8/c1-2-11-28-17(14-8-10-23-27-14)24-15-16(21)25-19(26-18(15)28)22-9-7-12-3-5-13(20)6-4-12/h3-6,8,10H,2,7,9,11H2,1H3,(H,23,27)(H3,21,22,25,26)