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

Systemtic Name: 7-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-keto-4-(2-p-phenetylpyrrolidino)butyl]-1,3-dimethyl-xanthine Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C23H29N5O4/c1-4-32-17-11-9-16(10-12-17)18-7-5-14-28(18)19(29)8-6-13-27-15-24-21-20(27)22(30)26(3)23(31)25(21)2/h9-12,15,18H,4-8,13-14H2,1-3H3