2-azanyl-5-[1-[2,3-bis(oxidanyl)propyl]-6-oxidanylidene-pyridin-3-yl]-6-(furan-2-yl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5-[1-[2,3-bis(oxidanyl)propyl]-6-oxidanylidene-pyridin-3-yl]-6-(furan-2-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-5-[1-(2,3-dihydroxypropyl)-6-oxo-3-pyridyl]-6-(2-furyl)pyridine-3-carbonitrile CAS Name: 2-amino-5-[1-(2,3-dihydroxypropyl)-6-oxo-3-pyridinyl]-6-(2-furanyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-[1-(2,3-dihydroxypropyl)-6-oxopyridin-3-yl]-6-(furan-2-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(2-furyl)-5-(1-glyceryl-6-keto-3-pyridyl)nicotinonitrile Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C=C(C(=N2)N)C#N)C3=CN(C(=O)C=C3)CC(CO)O

Isomeric SMILES

C1=COC(=C1)C2=C(C=C(C(=N2)N)C#N)C3=CN(C(=O)C=C3)CC(CO)O

InChI

InChI=1S/C18H16N4O4/c19-7-12-6-14(17(21-18(12)20)15-2-1-5-26-15)11-3-4-16(25)22(8-11)9-13(24)10-23/h1-6,8,13,23-24H,9-10H2,(H2,20,21)