8-[bis(2-hydroxyethyl)amino]-3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-xanthine Formula: C20H27N5O6 MolecularWeight: 433.45828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N(CCO)CCO)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N(CCO)CCO)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C20H27N5O6/c1-13-5-3-4-6-15(13)31-12-14(28)11-25-16-17(23(2)20(30)22-18(16)29)21-19(25)24(7-9-26)8-10-27/h3-6,14,26-28H,7-12H2,1-2H3,(H,22,29,30)