3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-allyl-8-isopentylsulfanyl-3-methyl-9H-purin-7-ium-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-prop-2-enyl-9H-purin-7-ium-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-allyl-8-(isoamylthio)-3-methyl-9H-purin-7-ium-2,6-quinone Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC=C

Isomeric SMILES

CC(C)CCSC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC=C

InChI

InChI=1S/C14H20N4O2S/c1-5-7-18-10-11(17(4)13(20)16-12(10)19)15-14(18)21-8-6-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,16,19,20)/p+1