ethyl 5-azanyl-1-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(2-methylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-(methylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H19N5O2S2 MolecularWeight: 389.49506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC(=N2)SC)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC(=N2)SC)N

InChI

InChI=1S/C17H19N5O2S2/c1-3-24-16(23)10-8-19-22(13(10)18)14-12-9-6-4-5-7-11(9)26-15(12)21-17(20-14)25-2/h8H,3-7,18H2,1-2H3