methyl 2-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C2C3=C(CCCC3)SC2=N1)N

Isomeric SMILES

COC(=O)CSC1=NC(=C2C3=C(CCCC3)SC2=N1)N

InChI

InChI=1S/C13H15N3O2S2/c1-18-9(17)6-19-13-15-11(14)10-7-4-2-3-5-8(7)20-12(10)16-13/h2-6H2,1H3,(H2,14,15,16)