1-(1-adamantylmethyl)-5-azanyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 1-(1-adamantylmethyl)-5-azanyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 1-(1-adamantylmethyl)-5-amino-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 1-(1-adamantylmethyl)-5-amino-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 1-(1-adamantylmethyl)-5-amino-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 1-(1-adamantylmethyl)-5-amino-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H30N4OS2 MolecularWeight: 466.6619

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(N1CC34CC5CC(C3)CC(C5)C4)SC(=C2N)C(=O)N)C6=CC=CC=C6

Isomeric SMILES

CSC1=NC(=C2C(N1CC34CC5CC(C3)CC(C5)C4)SC(=C2N)C(=O)N)C6=CC=CC=C6

InChI

InChI=1S/C25H30N4OS2/c1-31-24-28-20(17-5-3-2-4-6-17)18-19(26)21(22(27)30)32-23(18)29(24)13-25-10-14-7-15(11-25)9-16(8-14)12-25/h2-6,14-16,23H,7-13,26H2,1H3,(H2,27,30)