2-[3-(1,3-dioxolan-2-yl)phenyl]-5,6-diethyl-3-prop-2-ynyl-pyrimidin-4-one

Systemtic Name: 2-[3-(1,3-dioxolan-2-yl)phenyl]-5,6-diethyl-3-prop-2-ynyl-pyrimidin-4-one Openeye Name: 2-[3-(1,3-dioxolan-2-yl)phenyl]-5,6-diethyl-3-prop-2-ynyl-pyrimidin-4-one CAS Name: 2-[3-(1,3-dioxolan-2-yl)phenyl]-5,6-diethyl-3-prop-2-ynyl-4-pyrimidinone IUPAC Name: 2-[3-(1,3-dioxolan-2-yl)phenyl]-5,6-diethyl-3-prop-2-ynylpyrimidin-4-one Traditional Name: 2-[3-(1,3-dioxolan-2-yl)phenyl]-5,6-diethyl-3-propargyl-pyrimidin-4-one Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC#C)C2=CC(=CC=C2)C3OCCO3)CC

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC#C)C2=CC(=CC=C2)C3OCCO3)CC

InChI

InChI=1S/C20H22N2O3/c1-4-10-22-18(21-17(6-3)16(5-2)19(22)23)14-8-7-9-15(13-14)20-24-11-12-25-20/h1,7-9,13,20H,5-6,10-12H2,2-3H3