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

Systemtic Name: 8-(6-piperazin-1-ylpyridin-3-yl)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-(6-piperazin-1-yl-3-pyridyl)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-(1-piperazinyl)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-(6-piperazin-1-ylpyridin-3-yl)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-(6-piperazino-3-pyridyl)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C20H29N7O2 MolecularWeight: 399.48996

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)N4CCNCC4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCNCC4

InChI

InChI=1S/C20H29N7O2/c1-3-9-26-18-16(19(28)27(10-4-2)20(26)29)23-17(24-18)14-5-6-15(22-13-14)25-11-7-21-8-12-25/h5-6,13,16,18,21H,3-4,7-12H2,1-2H3,(H,23,24)