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

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-piperazino-xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C21H28N6O4/c1-3-14-4-6-16(7-5-14)31-13-15(28)12-27-17-18(25(2)21(30)24-19(17)29)23-20(27)26-10-8-22-9-11-26/h4-7,15,22,28H,3,8-13H2,1-2H3,(H,24,29,30)