ethyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H19N5O3S2/c1-3-26-17(25)13-11-5-4-6-12(11)28-16(13)23-15(24)9(2)27-18-21-8-10(7-19)14(20)22-18/h8-9H,3-6H2,1-2H3,(H,23,24)(H2,20,21,22)