N-(2-adamantyl)-3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanamide

Systemtic Name: N-(2-adamantyl)-3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanamide Openeye Name: N-(2-adamantyl)-3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanamide CAS Name: N-(2-adamantyl)-3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanamide IUPAC Name: N-(2-adamantyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide Traditional Name: N-(2-adamantyl)-3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H29N3O2S/c1-15-2-4-18(5-3-15)21-13-32-25-23(21)26(31)29(14-27-25)7-6-22(30)28-24-19-9-16-8-17(11-19)12-20(24)10-16/h2-5,13-14,16-17,19-20,24H,6-12H2,1H3,(H,28,30)