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

Systemtic Name: methyl 2-[4-azanyl-5-(thiophen-3-ylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-amino-5-(3-thienylmethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-(3-thiophenylmethyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-amino-5-(thiophen-3-ylmethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-(3-thenyl)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C(=N1)N)CC2=CSC=C2

Isomeric SMILES

COC(=O)CSC1=NC=C(C(=N1)N)CC2=CSC=C2

InChI

InChI=1S/C12H13N3O2S2/c1-17-10(16)7-19-12-14-5-9(11(13)15-12)4-8-2-3-18-6-8/h2-3,5-6H,4,7H2,1H3,(H2,13,14,15)