7-butyl-8-[3-oxidanylidene-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[3-oxidanylidene-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-[3-keto-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-propyl-xanthine Formula: C26H33N5O3 MolecularWeight: 463.57192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O3/c1-3-5-16-30-21(27-24-23(30)25(33)28-26(34)31(24)15-4-2)11-12-22(32)29-17-13-20(14-18-29)19-9-7-6-8-10-19/h6-10,13H,3-5,11-12,14-18H2,1-2H3,(H,28,33,34)