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2-[6-[(diphenylmethyl)oxycarbonylamino]purin-9-yl]ethanoic acid

2-[6-[(diphenylmethyl)oxycarbonylamino]purin-9-yl]ethanoic acid

Systemtic Name:2-[6-[(diphenylmethyl)oxycarbonylamino]purin-9-yl]ethanoic acid
Openeye Name:2-[6-(benzhydryloxycarbonylamino)purin-9-yl]acetic acid
CAS Name:2-[6-[[(diphenylmethyl)oxy-oxomethyl]amino]-9-purinyl]acetic acid
IUPAC Name:2-[6-(benzhydryloxycarbonylamino)purin-9-yl]acetic acid
Traditional Name:2-[6-(benzhydryloxycarbonylamino)purin-9-yl]acetic acid
Formula: C21H17N5O4
MolecularWeight: 403.39078
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC=NC4=C3N=CN4CC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC=NC4=C3N=CN4CC(=O)O


InChI

InChI=1S/C21H17N5O4/c27-16(28)11-26-13-24-17-19(22-12-23-20(17)26)25-21(29)30-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,18H,11H2,(H,27,28)(H,22,23,25,29)


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