2-[7-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethyl-diethyl-azanium

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethyl-diethyl-azanium Openeye Name: 2-(7-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylethyl-diethyl-ammonium CAS Name: 2-[(7-butyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]ethyl-diethylammonium IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylethyl-diethylazanium Traditional Name: 2-[(7-butyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]ethyl-diethyl-ammonium Formula: C18H30N5O2S+ MolecularWeight: 380.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O2S/c1-6-9-10-13-19-15-14(17(24)22(5)18(25)21(15)4)16(20-13)26-12-11-23(7-2)8-3/h6-12H2,1-5H3/p+1