7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(phenethylamino)xanthine Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C25H29N5O4/c1-3-17-9-11-20(12-10-17)34-16-19(31)15-30-21-22(29(2)25(33)28-23(21)32)27-24(30)26-14-13-18-7-5-4-6-8-18/h4-12,19,31H,3,13-16H2,1-2H3,(H,26,27)(H,28,32,33)