dimethyl 5-azanyl-3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C13H15N5O4S2 MolecularWeight: 369.4193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC(=CC(=N2)N)N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC(=CC(=N2)N)N)C(=O)OC)N

InChI

InChI=1S/C13H15N5O4S2/c1-21-11(19)8-5(9(12(20)22-2)24-10(8)16)4-23-13-17-6(14)3-7(15)18-13/h3H,4,16H2,1-2H3,(H4,14,15,17,18)