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

Systemtic Name: 7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-8-pyrrolidino-xanthine Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c1-22-16-15(17(26)21-19(22)27)24(18(20-16)23-9-3-4-10-23)11-14(25)12-5-7-13(28-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,21,26,27)