1-[3-methyl-2,6-bis(oxidanylidene)-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purin-8-ylidene]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-methyl-2,6-bis(oxidanylidene)-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purin-8-ylidene]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-methyl-2,6-dioxo-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purin-8-ylidene]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-methyl-2,6-dioxo-7-[3-(2-pyrimidinylthio)propyl]-5H-purin-8-ylidene]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-methyl-2,6-dioxo-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purin-8-ylidene]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-[3-(2-pyrimidylthio)propyl]-5H-purin-8-ylidene]piperidin-1-ium-4-carboxamide Formula: C19H25N8O3S+ MolecularWeight: 445.5186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+]3CCC(CC3)C(=O)N)N(C2C(=O)NC1=O)CCCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=NC(=[N+]3CCC(CC3)C(=O)N)N(C2C(=O)NC1=O)CCCSC4=NC=CC=N4

InChI

InChI=1S/C19H24N8O3S/c1-25-15-13(16(29)24-19(25)30)27(8-3-11-31-17-21-6-2-7-22-17)18(23-15)26-9-4-12(5-10-26)14(20)28/h2,6-7,12-13H,3-5,8-11H2,1H3,(H2-,20,24,28,29,30)/p+1