3-butyl-8-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]purine-2,6-dione CAS Name: 3-butyl-8-[3-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[3-keto-3-[2-(4-methoxyphenyl)pyrrolidino]propyl]xanthine Formula: C27H37N5O4 MolecularWeight: 495.61378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3C4=CC=C(C=C4)OC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3C4=CC=C(C=C4)OC)CC(C)C

InChI

InChI=1S/C27H37N5O4/c1-5-6-15-31-25-24(26(34)29-27(31)35)32(17-18(2)3)22(28-25)13-14-23(33)30-16-7-8-21(30)19-9-11-20(36-4)12-10-19/h9-12,18,21H,5-8,13-17H2,1-4H3,(H,29,34,35)