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

Systemtic Name: 5-azanyl-1-tert-butyl-2-methylsulfanyl-4-[3-(2-piperazin-1-ylethanoylamino)phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-1-tert-butyl-2-methylsulfanyl-4-[3-[(2-piperazin-1-ylacetyl)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-piperazinyl)ethyl]amino]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-1-tert-butyl-2-methylsulfanyl-4-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-1-tert-butyl-2-(methylthio)-4-[3-[(2-piperazinoacetyl)amino]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H33N7O2S2 MolecularWeight: 515.69452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)CN4CCNCC4)C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)CN4CCNCC4)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C24H33N7O2S2/c1-24(2,3)31-22-17(18(25)20(35-22)21(26)33)19(29-23(31)34-4)14-6-5-7-15(12-14)28-16(32)13-30-10-8-27-9-11-30/h5-7,12,22,27H,8-11,13,25H2,1-4H3,(H2,26,33)(H,28,32)