7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-piperazino-xanthine Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H30N6O4/c1-4-15-5-7-17(8-6-15)32-14-16(29)13-28-18-19(25(2)22(31)26(3)20(18)30)24-21(28)27-11-9-23-10-12-27/h5-8,16,23,29H,4,9-14H2,1-3H3