2-(1-adamantylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1-adamantylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-adamantylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-adamantylmethylthio)-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1-adamantylmethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1-adamantylmethylthio)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H28N2OS2 MolecularWeight: 436.63262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

InChI

InChI=1S/C25H28N2OS2/c1-15-16(2)30-22-21(15)23(28)27(20-6-4-3-5-7-20)24(26-22)29-14-25-11-17-8-18(12-25)10-19(9-17)13-25/h3-7,17-19H,8-14H2,1-2H3