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

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

CCCCC1=NC2=C(C(=N1)SCC[NH+]3CCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC[NH+]3CCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H27N5O2S/c1-4-5-8-13-19-15-14(17(24)22(3)18(25)21(15)2)16(20-13)26-12-11-23-9-6-7-10-23/h4-12H2,1-3H3/p+1