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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C)O

InChI

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