4-oxidanylidene-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylcarbamoyl]-1H-pyrimidin-2-olate

Systemtic Name: 4-oxidanylidene-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylcarbamoyl]-1H-pyrimidin-2-olate Openeye Name: 4-oxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylcarbamoyl]-1H-pyrimidin-2-olate CAS Name: 4-oxo-6-[oxo-[[(3R)-1-phenyl-3-pyrrolidinyl]methylamino]methyl]-1H-pyrimidin-2-olate IUPAC Name: 4-oxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylcarbamoyl]-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylcarbamoyl]-1H-pyrimidin-2-olate Formula: C16H17N4O3- MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)C2=CC(=O)N=C(N2)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@H]1CNC(=O)C2=CC(=O)N=C(N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3/c21-14-8-13(18-16(23)19-14)15(22)17-9-11-6-7-20(10-11)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10H2,(H,17,22)(H2,18,19,21,23)/p-1/t11-/m1/s1