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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C)O

InChI

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