3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl-(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)azanium

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl-(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)azanium Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl-(3,3-dimethyl-5-oxo-cyclohexen-1-yl)ammonium CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propyl-(3,3-dimethyl-5-oxo-1-cyclohexenyl)ammonium IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl-(3,3-dimethyl-5-oxocyclohexen-1-yl)azanium Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propyl-(5-keto-3,3-dimethyl-cyclohexen-1-yl)ammonium Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(=C1)[NH2+]CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1(CC(=O)CC(=C1)[NH2+]CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H25N5O3/c1-18(2)9-12(8-13(24)10-18)19-6-5-7-23-11-20-15-14(23)16(25)22(4)17(26)21(15)3/h9,11,19H,5-8,10H2,1-4H3/p+1