2-[3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-N-phenyl-benzamide Openeye Name: 2-[3-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-N-phenyl-benzamide CAS Name: 2-[[3-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxopropyl]amino]-N-phenylbenzamide IUPAC Name: 2-[3-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoylamino]-N-phenylbenzamide Traditional Name: 2-[3-[(4-amino-5-cyano-pyrimidin-2-yl)thio]propanoylamino]-N-phenyl-benzamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C21H18N6O2S/c22-12-14-13-24-21(27-19(14)23)30-11-10-18(28)26-17-9-5-4-8-16(17)20(29)25-15-6-2-1-3-7-15/h1-9,13H,10-11H2,(H,25,29)(H,26,28)(H2,23,24,27)