5-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-4,5-dihydropurin-8-yl]sulfanyl]pentanenitrile

Systemtic Name: 5-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-4,5-dihydropurin-8-yl]sulfanyl]pentanenitrile Openeye Name: 5-[(7-isopropyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)sulfanyl]pentanenitrile CAS Name: 5-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-4,5-dihydropurin-8-yl)thio]pentanenitrile IUPAC Name: 5-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-4,5-dihydropurin-8-yl)sulfanyl]pentanenitrile Traditional Name: 5-[(7-isopropyl-2,6-diketo-1,3-dimethyl-4,5-dihydropurin-8-yl)thio]valeronitrile Formula: C15H23N5O2S MolecularWeight: 337.44042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2C(N=C1SCCCCC#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2C(N=C1SCCCCC#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H23N5O2S/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/h10-12H,5-7,9H2,1-4H3