N-[[(4-azanyl-5-cyano-6-phenyl-pyrimidin-2-yl)amino]carbamothioyl]benzamide

Systemtic Name: N-[[(4-azanyl-5-cyano-6-phenyl-pyrimidin-2-yl)amino]carbamothioyl]benzamide Openeye Name: N-[[(4-amino-5-cyano-6-phenyl-pyrimidin-2-yl)amino]carbamothioyl]benzamide CAS Name: N-[[(4-amino-5-cyano-6-phenyl-2-pyrimidinyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(4-amino-5-cyano-6-phenylpyrimidin-2-yl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-amino-5-cyano-6-phenyl-pyrimidin-2-yl)amino]thiocarbamoyl]benzamide Formula: C19H15N7OS MolecularWeight: 389.4337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)NNC(=S)NC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)NNC(=S)NC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C19H15N7OS/c20-11-14-15(12-7-3-1-4-8-12)22-18(23-16(14)21)25-26-19(28)24-17(27)13-9-5-2-6-10-13/h1-10H,(H3,21,22,23,25)(H2,24,26,27,28)