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

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-(3-oxo-3-pyrrolidin-1-yl-propyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-(1-pyrrolidinyl)propyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-(3-oxo-3-pyrrolidin-1-ylpropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-(3-keto-3-pyrrolidino-propyl)xanthine Formula: C20H31N5O3 MolecularWeight: 389.49184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3)CC(C)C

InChI

InChI=1S/C20H31N5O3/c1-4-5-12-24-18-17(19(27)22-20(24)28)25(13-14(2)3)15(21-18)8-9-16(26)23-10-6-7-11-23/h14H,4-13H2,1-3H3,(H,22,27,28)