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2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-(phenylmethyl)purin-8-one
2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-(phenylmethyl)purin-8-one
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=CC=C4)NC5CC5
Isomeric SMILES
COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=CC=C4)NC5CC5
InChI
InChI=1S/C22H21N5O2/c1-29-18-9-5-8-17(12-18)27-20-19(13-23-21(25-20)24-16-10-11-16)26(22(27)28)14-15-6-3-2-4-7-15/h2-9,12-13,16H,10-11,14H2,1H3,(H,23,24,25)
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- 2-(cyclopropylamino)-7-[(2-fluorophenyl)methyl]-9-(3-methoxyphenyl)purin-8-one
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