2-[2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 2-[2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 2-[[2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]propanoylamino]benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC=CC=C3C(=O)N)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC=CC=C3C(=O)N)N

InChI

InChI=1S/C21H21N5O3S/c1-12-6-5-7-14(10-12)26-17(22)11-18(27)25-21(26)30-13(2)20(29)24-16-9-4-3-8-15(16)19(23)28/h3-11,13H,22H2,1-2H3,(H2,23,28)(H,24,29)