7-butyl-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-butyl-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-1,3-dimethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H30N5O2S+ MolecularWeight: 392.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC[NH+]3CCCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC[NH+]3CCCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H29N5O2S/c1-4-5-9-14-20-16-15(18(25)23(3)19(26)22(16)2)17(21-14)27-13-12-24-10-7-6-8-11-24/h4-13H2,1-3H3/p+1