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

Systemtic Name: 2-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylacetyl]amino]benzamide CAS Name: 2-[[2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]acetyl]amino]benzamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2C(=O)N)N

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2C(=O)N)N

InChI

InChI=1S/C16H17N5O3S/c1-2-7-21-12(17)8-13(22)20-16(21)25-9-14(23)19-11-6-4-3-5-10(11)15(18)24/h2-6,8H,1,7,9,17H2,(H2,18,24)(H,19,23)