7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperidino-7-[3-(1-pyrrolin-2-ylamino)propyl]xanthine Formula: C19H29N7O2 MolecularWeight: 387.47926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCNC4=NCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCNC4=NCCC4

InChI

InChI=1S/C19H29N7O2/c1-23-16-15(17(27)24(2)19(23)28)26(13-7-10-21-14-8-6-9-20-14)18(22-16)25-11-4-3-5-12-25/h3-13H2,1-2H3,(H,20,21)