2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[3-[[anilino(oxo)methyl]amino]phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[3-(phenylcarbamoylamino)phenyl]acetamide Formula: C20H17N7O2S MolecularWeight: 419.45968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C20H17N7O2S/c21-10-13-11-23-20(27-18(13)22)30-12-17(28)24-15-7-4-8-16(9-15)26-19(29)25-14-5-2-1-3-6-14/h1-9,11H,12H2,(H,24,28)(H2,22,23,27)(H2,25,26,29)