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

Systemtic Name: 5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-piperazin-1-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-N-tert-butyl-2-methylsulfanyl-4-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-N-tert-butyl-2-(methylthio)-4-[3-[[1-oxo-2-(1-piperazinyl)ethyl]amino]phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-N-tert-butyl-2-methylsulfanyl-4-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-N-tert-butyl-2-(methylthio)-4-[3-[(2-piperazinoacetyl)amino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H31N7O2S2 MolecularWeight: 513.67864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)NC(=O)CN4CCNCC4)N

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)NC(=O)CN4CCNCC4)N

InChI

InChI=1S/C24H31N7O2S2/c1-24(2,3)30-21(33)20-18(25)17-19(28-23(34-4)29-22(17)35-20)14-6-5-7-15(12-14)27-16(32)13-31-10-8-26-9-11-31/h5-7,12,26H,8-11,13,25H2,1-4H3,(H,27,32)(H,30,33)