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

Systemtic Name: ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C19H22N4O4S/c1-4-10-23-15(20)11-16(24)22-19(23)28-12(3)17(25)21-14-8-6-13(7-9-14)18(26)27-5-2/h4,6-9,11-12H,1,5,10,20H2,2-3H3,(H,21,25)