2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(ethylamino)-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(ethylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(ethylamino)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(ethylamino)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(ethylamino)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(ethylamino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C21H18N6S MolecularWeight: 386.47282

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H18N6S/c1-2-23-20-15(12-22)19(14-8-4-3-5-9-14)26-21(27-20)28-13-18-24-16-10-6-7-11-17(16)25-18/h3-11H,2,13H2,1H3,(H,24,25)(H,23,26,27)