5-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylpentanenitrile

Systemtic Name: 5-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylpentanenitrile Openeye Name: 5-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpentanenitrile CAS Name: 5-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]pentanenitrile IUPAC Name: 5-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylpentanenitrile Traditional Name: 5-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]valeronitrile Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCCCCC#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCCCCC#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H21N5O2S/c1-10(2)20-11-12(18(3)15(22)19(4)13(11)21)17-14(20)23-9-7-5-6-8-16/h10H,5-7,9H2,1-4H3