6-azanyl-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]pyrimidine-2,4-dione CAS Name: 6-amino-5-[[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]pyrimidine-2,4-quinone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C4=CC=CO4

InChI

InChI=1S/C22H27N5O3/c23-20-19(21(28)25-22(29)27(20)15-16-8-3-1-4-9-16)24-14-17(18-10-7-13-30-18)26-11-5-2-6-12-26/h1,3-4,7-10,13,17,24H,2,5-6,11-12,14-15,23H2,(H,25,28,29)/p+1/t17-/m1/s1