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

Systemtic Name: ethyl 2-[2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=O)C=C(N3CCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=O)C=C(N3CCC4=CC=CC=C4)N

InChI

InChI=1S/C25H28N4O4S2/c1-2-33-24(32)22-17-10-6-7-11-18(17)35-23(22)27-21(31)15-34-25-28-20(30)14-19(26)29(25)13-12-16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15,26H2,1H3,(H,27,31)