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

Systemtic Name: 7-cyclohexyl-1,3-dimethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclohexyl-1,3-dimethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclohexyl-1,3-dimethyl-5-[2-(4-morpholin-4-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclohexyl-1,3-dimethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclohexyl-1,3-dimethyl-5-(2-morpholin-4-ium-4-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC[NH+]4CCOCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC[NH+]4CCOCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H29N5O3S/c1-23-17-15(19(26)24(2)20(23)27)18(29-13-10-25-8-11-28-12-9-25)22-16(21-17)14-6-4-3-5-7-14/h14H,3-13H2,1-2H3/p+1