3-methyl-1-(5-oxidanylhexyl)-8-(phenylmethoxymethyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-(phenylmethoxymethyl)-7H-purine-2,6-dione Openeye Name: 8-(benzyloxymethyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-(phenylmethoxymethyl)-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-(phenylmethoxymethyl)-7H-purine-2,6-dione Traditional Name: 8-(benzoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)COCC3=CC=CC=C3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)COCC3=CC=CC=C3)N(C1=O)C)O

InChI

InChI=1S/C20H26N4O4/c1-14(25)8-6-7-11-24-19(26)17-18(23(2)20(24)27)22-16(21-17)13-28-12-15-9-4-3-5-10-15/h3-5,9-10,14,25H,6-8,11-13H2,1-2H3,(H,21,22)