3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]benzonitrile Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC(=CC(=N2)N)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC(=CC(=N2)N)N)C#N

InChI

InChI=1S/C12H11N5S/c13-6-8-2-1-3-9(4-8)7-18-12-16-10(14)5-11(15)17-12/h1-5H,7H2,(H4,14,15,16,17)