3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylpropanenitrile

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylpropanenitrile Openeye Name: 3-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanenitrile CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]propanenitrile IUPAC Name: 3-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylpropanenitrile Traditional Name: 3-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]propionitrile Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCCC#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCCC#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H17N5O2S/c1-8(2)18-9-10(15-12(18)21-7-5-6-14)16(3)13(20)17(4)11(9)19/h8H,5,7H2,1-4H3