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

Systemtic Name: 5-azanyl-1-tert-butyl-2-methylsulfanyl-4-[3-(3-pyridin-3-ylpropoxy)phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-1-tert-butyl-2-methylsulfanyl-4-[3-[3-(3-pyridyl)propoxy]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-1-tert-butyl-2-(methylthio)-4-[3-[3-(3-pyridinyl)propoxy]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-1-tert-butyl-2-methylsulfanyl-4-[3-(3-pyridin-3-ylpropoxy)phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-1-tert-butyl-2-(methylthio)-4-[3-[3-(3-pyridyl)propoxy]phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H31N5O2S2 MolecularWeight: 509.68664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)OCCCC4=CN=CC=C4)C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)OCCCC4=CN=CC=C4)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C26H31N5O2S2/c1-26(2,3)31-24-19(20(27)22(35-24)23(28)32)21(30-25(31)34-4)17-10-5-11-18(14-17)33-13-7-9-16-8-6-12-29-15-16/h5-6,8,10-12,14-15,24H,7,9,13,27H2,1-4H3,(H2,28,32)