6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(ethoxymethyl)-5-[(4-isopropoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(ethoxymethyl)-5-(4-isopropoxybenzyl)-2-thioxo-1H-pyrimidin-4-one Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C17H22N2O3S/c1-4-21-10-15-14(16(20)19-17(23)18-15)9-12-5-7-13(8-6-12)22-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20,23)