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

Systemtic Name: 5-azanyl-4-(3-benzamidophenyl)-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-(3-benzamidophenyl)-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-(3-benzamidophenyl)-1-tert-butyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-4-(3-benzamidophenyl)-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-(3-benzamidophenyl)-1-tert-butyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H27N5O2S2 MolecularWeight: 493.64418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C25H27N5O2S2/c1-25(2,3)30-23-17(18(26)20(34-23)21(27)31)19(29-24(30)33-4)15-11-8-12-16(13-15)28-22(32)14-9-6-5-7-10-14/h5-13,23H,26H2,1-4H3,(H2,27,31)(H,28,32)