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

Systemtic Name: dimethyl 5-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4,6-diaminopyrimidin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H19N5O5S2 MolecularWeight: 425.48256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC(=CC(=N2)N)N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC(=CC(=N2)N)N)C(=O)OC

InChI

InChI=1S/C16H19N5O5S2/c1-7-11(14(23)25-2)13(28-12(7)15(24)26-3)21-10(22)4-5-27-16-19-8(17)6-9(18)20-16/h6H,4-5H2,1-3H3,(H,21,22)(H4,17,18,19,20)