1-adamantyl-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: 1-adamantyl-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH2+]C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH2+]C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C25H29N3OS/c1-14-3-5-19(6-4-14)21-15(2)30-24-22(21)23(29)27-20(28-24)13-26-25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,16-18,26H,7-13H2,1-2H3,(H,27,28,29)/p+1