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

Systemtic Name: 5-azanyl-1-tert-butyl-2-methylsulfanyl-4-[3-(2-piperidin-1-ylethanoylamino)phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-1-tert-butyl-2-methylsulfanyl-4-[3-[[2-(1-piperidyl)acetyl]amino]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-1-tert-butyl-2-(methylthio)-4-[3-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-1-tert-butyl-2-methylsulfanyl-4-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-1-tert-butyl-2-(methylthio)-4-[3-[(2-piperidinoacetyl)amino]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H34N6O2S2 MolecularWeight: 514.70646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)CN4CCCCC4)C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)CN4CCCCC4)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C25H34N6O2S2/c1-25(2,3)31-23-18(19(26)21(35-23)22(27)33)20(29-24(31)34-4)15-9-8-10-16(13-15)28-17(32)14-30-11-6-5-7-12-30/h8-10,13,23H,5-7,11-12,14,26H2,1-4H3,(H2,27,33)(H,28,32)