1,3-dimethyl-5-(3-phenylmethoxyprop-2-ynylsulfanyl)pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-(3-phenylmethoxyprop-2-ynylsulfanyl)pyrimidine-2,4-dione Openeye Name: 5-(3-benzyloxyprop-2-ynylsulfanyl)-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(3-phenylmethoxyprop-2-ynylthio)pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(3-phenylmethoxyprop-2-ynylsulfanyl)pyrimidine-2,4-dione Traditional Name: 5-(3-benzoxyprop-2-ynylthio)-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-17-11-14(15(19)18(2)16(17)20)22-10-6-9-21-12-13-7-4-3-5-8-13/h3-5,7-8,11H,10,12H2,1-2H3