pyridin-3-ylmethylcarbamic acid; 3-(4H-pyrimidin-3-yl)cyclopentane-1,2-diol

Systemtic Name: pyridin-3-ylmethylcarbamic acid; 3-(4H-pyrimidin-3-yl)cyclopentane-1,2-diol Openeye Name: 3-pyridylmethylcarbamic acid; 3-(4H-pyrimidin-3-yl)cyclopentane-1,2-diol CAS Name: 3-pyridinylmethylcarbamic acid; 3-(4H-pyrimidin-3-yl)cyclopentane-1,2-diol IUPAC Name: pyridin-3-ylmethylcarbamic acid; 3-(4H-pyrimidin-3-yl)cyclopentane-1,2-diol Traditional Name: 3-pyridylmethylcarbamic acid; 3-(4H-pyrimidin-3-yl)cyclopentane-1,2-diol Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1N2CC=CN=C2)O)O.C1=CC(=CN=C1)CNC(=O)O

Isomeric SMILES

C1CC(C(C1N2CC=CN=C2)O)O.C1=CC(=CN=C1)CNC(=O)O

InChI

InChI=1S/C9H14N2O2.C7H8N2O2/c12-8-3-2-7(9(8)13)11-5-1-4-10-6-11;10-7(11)9-5-6-2-1-3-8-4-6/h1,4,6-9,12-13H,2-3,5H2;1-4,9H,5H2,(H,10,11)