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

Systemtic Name: methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C14H17N5O3S2/c1-6-7(2)24-12(11(6)13(21)22-3)19-10(20)5-23-14-17-8(15)4-9(16)18-14/h4H,5H2,1-3H3,(H,19,20)(H4,15,16,17,18)