N-(1-adamantyl)-3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanamide

Systemtic Name: N-(1-adamantyl)-3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanamide Openeye Name: N-(1-adamantyl)-3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanamide CAS Name: N-(1-adamantyl)-3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanamide IUPAC Name: N-(1-adamantyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide Traditional Name: N-(1-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)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

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