N-[(1R)-1-(1-adamantyl)ethyl]-2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)N[C@H](C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O2S/c1-10-16-18(25)23-12(3)24-20(16)27-17(10)19(26)22-11(2)21-7-13-4-14(8-21)6-15(5-13)9-21/h11,13-15H,4-9H2,1-3H3,(H,22,26)(H,23,24,25)/t11-,13?,14?,15?,21?/m1/s1