ethyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC(=O)C=C(N3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C19H24N4O4S2/c1-3-11(29-19-21-13(20)9-14(24)22-19)16(25)23-17-15(18(26)27-4-2)10-7-5-6-8-12(10)28-17/h9,11H,3-8H2,1-2H3,(H,23,25)(H3,20,21,22,24)