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

Systemtic Name: 3-methyl-7-[3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[(4-methyl-1-piperazinyl)amino]purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[(4-methylpiperazino)amino]xanthine Formula: C21H29N7O4 MolecularWeight: 443.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NN4CCN(CC4)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NN4CCN(CC4)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C21H29N7O4/c1-14-4-6-16(7-5-14)32-13-15(29)12-28-17-18(26(3)21(31)23-19(17)30)22-20(28)24-27-10-8-25(2)9-11-27/h4-7,15,29H,8-13H2,1-3H3,(H,22,24)(H,23,30,31)