methyl 3-[4-azanyl-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-azanyl-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[4-amino-5-(2-thienylmethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-amino-5-(thiophen-2-ylmethyl)-2-pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-amino-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-amino-5-(2-thenyl)pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC=C(C(=N1)N)CC2=CC=CS2

Isomeric SMILES

COC(=O)CCSC1=NC=C(C(=N1)N)CC2=CC=CS2

InChI

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