5-[3-[(4-methoxyphenyl)methoxy]prop-2-ynylsulfanyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[3-[(4-methoxyphenyl)methoxy]prop-2-ynylsulfanyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[3-[(4-methoxyphenyl)methoxy]prop-2-ynylsulfanyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[3-[(4-methoxyphenyl)methoxy]prop-2-ynylthio]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[3-[(4-methoxyphenyl)methoxy]prop-2-ynylsulfanyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-(3-p-anisyloxyprop-2-ynylthio)pyrimidine-2,4-quinone Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)SCC#COCC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)SCC#COCC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H18N2O4S/c1-18-11-15(16(20)19(2)17(18)21)24-10-4-9-23-12-13-5-7-14(22-3)8-6-13/h5-8,11H,10,12H2,1-3H3