6-phenylsulfanyl-5-propan-2-yl-1-propoxy-pyrimidine-2,4-dione

Systemtic Name: 6-phenylsulfanyl-5-propan-2-yl-1-propoxy-pyrimidine-2,4-dione Openeye Name: 5-isopropyl-6-phenylsulfanyl-1-propoxy-pyrimidine-2,4-dione CAS Name: 6-(phenylthio)-5-propan-2-yl-1-propoxypyrimidine-2,4-dione IUPAC Name: 6-phenylsulfanyl-5-propan-2-yl-1-propoxypyrimidine-2,4-dione Traditional Name: 5-isopropyl-6-(phenylthio)-1-propoxy-pyrimidine-2,4-quinone Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCON1C(=C(C(=O)NC1=O)C(C)C)SC2=CC=CC=C2

Isomeric SMILES

CCCON1C(=C(C(=O)NC1=O)C(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3S/c1-4-10-21-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)