2-[4-[5-cyano-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[5-cyano-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(5-cyano-2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C17H27N6O3+ MolecularWeight: 363.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(C(=O)N(C(=O)N2C)C)C#N

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(C(=O)N(C(=O)N2C)C)C#N

InChI

InChI=1S/C17H26N6O3/c1-12(2)19-14(24)11-22-6-5-7-23(9-8-22)15-13(10-18)16(25)21(4)17(26)20(15)3/h12H,5-9,11H2,1-4H3,(H,19,24)/p+1