2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]methyl]benzonitrile Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=CC=CC=C3C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=CC=CC=C3C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H15N5O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-11-7-5-4-6-10(11)8-17/h4-7H,9H2,1-3H3