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

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isobutyl-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isobutyl-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(C(=N1)SCC[NH+]3CCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CC1=NC2=C(C(=N1)SCC[NH+]3CCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H27N5O2S/c1-12(2)11-13-19-15-14(17(24)22(4)18(25)21(15)3)16(20-13)26-10-9-23-7-5-6-8-23/h12H,5-11H2,1-4H3/p+1