8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N5O5/c1-22-16-15(17(27)21-19(22)28)24(18(20-16)23(9-11-25)10-12-26)8-7-13-3-5-14(29-2)6-4-13/h3-6,25-26H,7-12H2,1-2H3,(H,21,27,28)