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

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-adamantyl)-2-oxoethyl]-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-adamantyl)-2-keto-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C25H26N2O2S/c1-15-21(19-5-3-2-4-6-19)22-23(30-15)26-14-27(24(22)29)13-20(28)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-6,14,16-18H,7-13H2,1H3