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

Systemtic Name: 2-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 2-[[2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C17H19N5O3S/c1-3-8-22-13(18)9-14(23)21-17(22)26-10(2)16(25)20-12-7-5-4-6-11(12)15(19)24/h3-7,9-10H,1,8,18H2,2H3,(H2,19,24)(H,20,25)