N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (4-methoxy-3-piperidinosulfonyl-phenyl)-[2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C27H35N5O4S2 MolecularWeight: 557.7279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCOCC5)S(=O)(=O)N6CCCCC6

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCOCC5)S(=O)(=O)N6CCCCC6

InChI

InChI=1S/C27H35N5O4S2/c1-35-21-10-9-19(17-23(21)38(33,34)32-11-5-2-6-12-32)28-26-25-20-7-3-4-8-22(20)37-27(25)30-24(29-26)18-31-13-15-36-16-14-31/h9-10,17H,2-8,11-16,18H2,1H3,(H,28,29,30)