3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-adamantyl)-2-oxoethyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-adamantyl)-2-keto-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C20H24N2O2S/c1-11-12(2)25-18-17(11)19(24)22(10-21-18)9-16(23)20-6-13-3-14(7-20)5-15(4-13)8-20/h10,13-15H,3-9H2,1-2H3