ethyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC)SC3=NC(=O)C=C(N3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC)SC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C18H22N4O4S2/c1-3-10(28-18-20-12(19)8-13(23)21-18)15(24)22-16-14(17(25)26-4-2)9-6-5-7-11(9)27-16/h8,10H,3-7H2,1-2H3,(H,22,24)(H3,19,20,21,23)