ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C18H20N4O4S/c1-3-9-22-14(19)10-15(23)21-18(22)27-11-16(24)20-13-7-5-12(6-8-13)17(25)26-4-2/h3,5-8,10H,1,4,9,11,19H2,2H3,(H,20,24)