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

Systemtic Name: 5-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylpentanenitrile Openeye Name: 5-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpentanenitrile CAS Name: 5-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]pentanenitrile IUPAC Name: 5-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile Traditional Name: 5-[(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]valeronitrile Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC=C

InChI

InChI=1S/C15H19N5O2S/c1-4-9-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-6-8-16/h4H,1,5-7,9-10H2,2-3H3