4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenyl-butan-1-one Openeye Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-phenyl-1-butanone IUPAC Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-phenyl-butan-1-one Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCCCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCCCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2OS2/c1-12-13(2)23-18-16(12)17(19-11-20-18)22-10-6-9-15(21)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3