8-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 8-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-(4-methylpiperazino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H31N7O2 MolecularWeight: 413.51654

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)N4CCN(CC4)C

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C21H31N7O2/c1-4-8-27-19-17(20(29)28(9-5-2)21(27)30)23-18(24-19)15-6-7-16(22-14-15)26-12-10-25(3)11-13-26/h6-7,14,17,19H,4-5,8-13H2,1-3H3,(H,23,24)