methyl 3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]coumarilic acid methyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H14N4O3S/c1-21-14(20)13-9(8-4-2-3-5-10(8)22-13)7-23-15-18-11(16)6-12(17)19-15/h2-6H,7H2,1H3,(H4,16,17,18,19)