2-methylsulfanyl-4-[(phenylmethyl)amino]imidazo[1,5-a]pyrimidine-3,8-dicarbonitrile

Systemtic Name: 2-methylsulfanyl-4-[(phenylmethyl)amino]imidazo[1,5-a]pyrimidine-3,8-dicarbonitrile Openeye Name: 4-(benzylamino)-2-methylsulfanyl-imidazo[1,5-a]pyrimidine-3,8-dicarbonitrile CAS Name: 2-(methylthio)-4-[(phenylmethyl)amino]imidazo[1,5-a]pyrimidine-3,8-dicarbonitrile IUPAC Name: 4-(benzylamino)-2-methylsulfanylimidazo[1,5-a]pyrimidine-3,8-dicarbonitrile Traditional Name: 4-(benzylamino)-2-(methylthio)imidazo[1,5-a]pyrimidine-3,8-dicarbonitrile Formula: C16H12N6S MolecularWeight: 320.37168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N=CN2C(=C1C#N)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=NC2=C(N=CN2C(=C1C#N)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H12N6S/c1-23-16-12(7-17)14(19-9-11-5-3-2-4-6-11)22-10-20-13(8-18)15(22)21-16/h2-6,10,19H,9H2,1H3