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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-22-15-14(16(25)21-18(22)26)23(17(20-15)19-9-3-11-24)10-8-12-4-6-13(27-2)7-5-12/h4-7,24H,3,8-11H2,1-2H3,(H,19,20)(H,21,25,26)