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2-[8-chloranyl-9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid

2-[8-chloranyl-9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid

Systemtic Name:2-[8-chloranyl-9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid
Openeye Name:2-[8-chloro-9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid
CAS Name:2-[8-chloro-9-[(2-cyanophenyl)methyl]-6-purinyl]-1-piperazinecarboxylic acid
IUPAC Name:2-[8-chloro-9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid
Traditional Name:2-[8-chloro-9-(2-cyanobenzyl)purin-6-yl]piperazine-1-carboxylic acid
Formula: C18H16ClN7O2
MolecularWeight: 397.81834
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=C3C(=NC=N2)N(C(=N3)Cl)CC4=CC=CC=C4C#N)C(=O)O


Isomeric SMILES

C1CN(C(CN1)C2=C3C(=NC=N2)N(C(=N3)Cl)CC4=CC=CC=C4C#N)C(=O)O


InChI

InChI=1S/C18H16ClN7O2/c19-17-24-15-14(13-8-21-5-6-25(13)18(27)28)22-10-23-16(15)26(17)9-12-4-2-1-3-11(12)7-20/h1-4,10,13,21H,5-6,8-9H2,(H,27,28)


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