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

Systemtic Name: 8-[6-(cyclohexylamino)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-(cyclohexylamino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-(cyclohexylamino)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-(cyclohexylamino)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-(cyclohexylamino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NC4CCCCC4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NC4CCCCC4

InChI

InChI=1S/C22H32N6O2/c1-3-12-27-20-18(21(29)28(13-4-2)22(27)30)25-19(26-20)15-10-11-17(23-14-15)24-16-8-6-5-7-9-16/h10-11,14,16,18,20H,3-9,12-13H2,1-2H3,(H,23,24)(H,25,26)