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

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C24H27N5O4/c1-3-16-9-11-19(12-10-16)33-15-18(30)14-29-20-21(28(2)24(32)27-22(20)31)26-23(29)25-13-17-7-5-4-6-8-17/h4-12,18,30H,3,13-15H2,1-2H3,(H,25,26)(H,27,31,32)