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

Systemtic Name: methyl 3-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=C2C3=C(CCCC3)SC2=N1)N

Isomeric SMILES

COC(=O)CCSC1=NC(=C2C3=C(CCCC3)SC2=N1)N

InChI

InChI=1S/C14H17N3O2S2/c1-19-10(18)6-7-20-14-16-12(15)11-8-4-2-3-5-9(8)21-13(11)17-14/h2-7H2,1H3,(H2,15,16,17)