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

Systemtic Name: 1,3-dipropyl-8-(6-pyrrolidin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-(6-pyrrolidin-1-yl-3-pyridyl)-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[6-(1-pyrrolidinyl)-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-(6-pyrrolidin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-(6-pyrrolidino-3-pyridyl)-5,7-dihydro-4H-purine-2,6-quinone Formula: C20H28N6O2 MolecularWeight: 384.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C20H28N6O2/c1-3-9-25-18-16(19(27)26(10-4-2)20(25)28)22-17(23-18)14-7-8-15(21-13-14)24-11-5-6-12-24/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,22,23)