[2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium

Systemtic Name: [2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium Openeye Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-[(1R)-1-(2-furyl)ethyl]ammonium CAS Name: [2-[4-amino-1-ethyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl]-[(1R)-1-(2-furanyl)ethyl]ammonium IUPAC Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium Traditional Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]-[(1R)-1-(2-furyl)ethyl]ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH2+]C(C)C3=CC=CO3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH2+][C@H](C)C3=CC=CO3

InChI

InChI=1S/C21H24N4O4/c1-3-24-20(27)18(16(26)12-23-14(2)17-10-7-11-29-17)19(22)25(21(24)28)13-15-8-5-4-6-9-15/h4-11,14,23H,3,12-13,22H2,1-2H3/p+1/t14-/m1/s1