1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one CAS Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-3-(2,4-dimethoxy-5-pyrimidinyl)-2-propen-1-one IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C=CC(=O)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=NC(=NC=C1C=CC(=O)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H23N3O7/c1-26-20-14(10-22-21(23-20)27-2)3-6-19(25)24-7-8-28-16(11-24)12-29-15-4-5-17-18(9-15)31-13-30-17/h3-6,9-10,16H,7-8,11-13H2,1-2H3