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methyl 2-[9-(phenylmethyl)purin-6-yl]butanoate

methyl 2-[9-(phenylmethyl)purin-6-yl]butanoate

Systemtic Name:methyl 2-[9-(phenylmethyl)purin-6-yl]butanoate
Openeye Name:methyl 2-(9-benzylpurin-6-yl)butanoate
CAS Name:2-[9-(phenylmethyl)-6-purinyl]butanoic acid methyl ester
IUPAC Name:methyl 2-(9-benzylpurin-6-yl)butanoate
Traditional Name:2-(9-benzylpurin-6-yl)butyric acid methyl ester
Formula: C17H18N4O2
MolecularWeight: 310.35042
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)OC


Isomeric SMILES

CCC(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)OC


InChI

InChI=1S/C17H18N4O2/c1-3-13(17(22)23-2)14-15-16(19-10-18-14)21(11-20-15)9-12-7-5-4-6-8-12/h4-8,10-11,13H,3,9H2,1-2H3


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