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

Systemtic Name: 8-[6-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-(4-acetylpiperazin-1-yl)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-(4-acetyl-1-piperazinyl)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-(4-acetylpiperazino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H31N7O3 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N7O3/c1-4-8-28-20-18(21(31)29(9-5-2)22(28)32)24-19(25-20)16-6-7-17(23-14-16)27-12-10-26(11-13-27)15(3)30/h6-7,14,18,20H,4-5,8-13H2,1-3H3,(H,24,25)