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

Systemtic Name: 7-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[3-(4-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-keto-2-[3-(4-methoxyphenyl)pyrrolidino]ethyl]-1,3-dimethyl-xanthine Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC(C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC(C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H23N5O4/c1-22-18-17(19(27)23(2)20(22)28)25(12-21-18)11-16(26)24-9-8-14(10-24)13-4-6-15(29-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3