2-methyl-9-[2-methylidene-4-oxidanyl-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one

Systemtic Name: 2-methyl-9-[2-methylidene-4-oxidanyl-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one Openeye Name: 9-[3-(benzyloxymethyl)-4-hydroxy-2-methylene-cyclopentyl]-2-methyl-3H-purin-6-one CAS Name: 9-[4-hydroxy-2-methylene-3-(phenylmethoxymethyl)cyclopentyl]-2-methyl-3H-purin-6-one IUPAC Name: 9-[4-hydroxy-2-methylidene-3-(phenylmethoxymethyl)cyclopentyl]-2-methyl-3H-purin-6-one Traditional Name: 9-[3-(benzoxymethyl)-4-hydroxy-2-methylene-cyclopentyl]-2-methyl-3H-purin-6-one Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(C3=C)COCC4=CC=CC=C4)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(C3=C)COCC4=CC=CC=C4)O

InChI

InChI=1S/C20H22N4O3/c1-12-15(10-27-9-14-6-4-3-5-7-14)17(25)8-16(12)24-11-21-18-19(24)22-13(2)23-20(18)26/h3-7,11,15-17,25H,1,8-10H2,2H3,(H,22,23,26)