1,3-diethyl-8-(6-pyrrolidin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-(6-pyrrolidin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-(6-pyrrolidin-1-yl-3-pyridyl)-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-(1-pyrrolidinyl)-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-(6-pyrrolidin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-(6-pyrrolidino-3-pyridyl)-5,7-dihydro-4H-purine-2,6-quinone Formula: C18H24N6O2 MolecularWeight: 356.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C18H24N6O2/c1-3-23-16-14(17(25)24(4-2)18(23)26)20-15(21-16)12-7-8-13(19-11-12)22-9-5-6-10-22/h7-8,11,14,16H,3-6,9-10H2,1-2H3,(H,20,21)