ethyl 5-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[(4,6-diaminopyrimidin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H18N6O3S2 MolecularWeight: 406.48252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC(=CC(=N2)N)N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC(=CC(=N2)N)N)C#N)C

InChI

InChI=1S/C16H18N6O3S2/c1-3-25-15(24)13-8(2)9(7-17)14(27-13)22-12(23)4-5-26-16-20-10(18)6-11(19)21-16/h6H,3-5H2,1-2H3,(H,22,23)(H4,18,19,20,21)