6-azanyl-1,3-dimethyl-5-[2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[1-oxo-2-(5-oxo-1,4-diazepan-1-ium-1-yl)ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(5-keto-1,4-diazepan-1-ium-1-yl)acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C13H20N5O4+ MolecularWeight: 310.329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC(=O)NCC2)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC(=O)NCC2)N

InChI

InChI=1S/C13H19N5O4/c1-16-11(14)10(12(21)17(2)13(16)22)8(19)7-18-5-3-9(20)15-4-6-18/h3-7,14H2,1-2H3,(H,15,20)/p+1