1-(3-oxidanylpropoxy)-6-phenylsulfanyl-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 1-(3-oxidanylpropoxy)-6-phenylsulfanyl-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 1-(3-hydroxypropoxy)-5-isopropyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-(3-hydroxypropoxy)-6-(phenylthio)-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 1-(3-hydroxypropoxy)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 1-(3-hydroxypropoxy)-5-isopropyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=O)NC1=O)OCCCO)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=C(N(C(=O)NC1=O)OCCCO)SC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4S/c1-11(2)13-14(20)17-16(21)18(22-10-6-9-19)15(13)23-12-7-4-3-5-8-12/h3-5,7-8,11,19H,6,9-10H2,1-2H3,(H,17,20,21)