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

Systemtic Name: 7-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-keto-3-(2-p-phenetylpyrrolidino)propyl]-1,3-dimethyl-xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H27N5O4/c1-4-31-16-9-7-15(8-10-16)17-6-5-12-27(17)18(28)11-13-26-14-23-20-19(26)21(29)25(3)22(30)24(20)2/h7-10,14,17H,4-6,11-13H2,1-3H3