4-azanyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methanone

Systemtic Name: 4-azanyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methanone Openeye Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone CAS Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone; [4-[4-[(Z)-(4-bromophenyl)-ethoxyiminomethyl]-1-piperidinyl]-4-methyl-1-piperidinyl]-(2,4-dimethyl-1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: 4-amino-1-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-2-one; [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidino]-4-methyl-piperidino]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone Formula: C36H48BrN7O6S MolecularWeight: 786.77862

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)C4=CC=C(C=C4)Br.C1C(OC(S1)CO)N2C=CC(=NC2=O)N

Isomeric SMILES

CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)\C4=CC=C(C=C4)Br.C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C28H37BrN4O3.C8H11N3O3S/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h6-10,17,23H,5,11-16,18-19H2,1-4H3;1-2,6-7,12H,3-4H2,(H2,9,10,13)/b30-26+;/t;6-,7+/m.0/s1