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

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isobutyl-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-5-[2-(1-piperidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isobutyl-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:

CC(C)CC1=NC2=C(C(=N1)SCC[NH+]3CCCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CC1=NC2=C(C(=N1)SCC[NH+]3CCCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H29N5O2S/c1-13(2)12-14-20-16-15(18(25)23(4)19(26)22(16)3)17(21-14)27-11-10-24-8-6-5-7-9-24/h13H,5-12H2,1-4H3/p+1