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

Systemtic Name: 1,3-dimethyl-8-piperidin-1-yl-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(1-piperidyl)-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperidinyl)-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperidin-1-yl-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperidino-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]xanthine Formula: C21H33N7O2 MolecularWeight: 415.53242

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=NCCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCNC4=NCCCCC4

InChI

InChI=1S/C21H33N7O2/c1-25-18-17(19(29)26(2)21(25)30)28(20(24-18)27-13-7-4-8-14-27)15-9-12-23-16-10-5-3-6-11-22-16/h3-15H2,1-2H3,(H,22,23)