[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: [2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-benzyl-methylazanium Traditional Name: [2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]-benzyl-methyl-ammonium Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N

InChI

InChI=1S/C17H20N4O3/c1-20(9-11-5-3-2-4-6-11)10-13(22)14-15(18)21(12-7-8-12)17(24)19-16(14)23/h2-6,12H,7-10,18H2,1H3,(H,19,23,24)/p+1