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

Systemtic Name: 1,3-dimethyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H29N5O4/c1-15-9-5-6-10-17(15)31-14-16(28)13-27-18-19(24(2)22(30)25(3)20(18)29)23-21(27)26-11-7-4-8-12-26/h5-6,9-10,16,28H,4,7-8,11-14H2,1-3H3