8-[2-(diethylamino)pyrimidin-4-yl]-5,7-dimethoxy-4-propyl-chromen-2-one hydrochloride

Systemtic Name: 8-[2-(diethylamino)pyrimidin-4-yl]-5,7-dimethoxy-4-propyl-chromen-2-one hydrochloride Openeye Name: 8-[2-(diethylamino)pyrimidin-4-yl]-5,7-dimethoxy-4-propyl-chromen-2-one hydrochloride CAS Name: 8-[2-(diethylamino)-4-pyrimidinyl]-5,7-dimethoxy-4-propyl-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[2-(diethylamino)pyrimidin-4-yl]-5,7-dimethoxy-4-propylchromen-2-one hydrochloride Traditional Name: 8-[2-(diethylamino)pyrimidin-4-yl]-5,7-dimethoxy-4-propyl-coumarin hydrochloride Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2C3=NC(=NC=C3)N(CC)CC)OC)OC.Cl

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2C3=NC(=NC=C3)N(CC)CC)OC)OC.Cl

InChI

InChI=1S/C22H27N3O4.ClH/c1-6-9-14-12-18(26)29-21-19(14)16(27-4)13-17(28-5)20(21)15-10-11-23-22(24-15)25(7-2)8-3;/h10-13H,6-9H2,1-5H3;1H