7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-pyrrolidino-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C19H23N5O3/c1-22-16-15(17(25)21-19(22)26)24(18(20-16)23-10-3-4-11-23)12-9-13-5-7-14(27-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,21,25,26)