4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2H-phthalazin-1-one Openeye Name: 4-[[5-(hydroxymethyl)-2-furyl]methylamino]-2H-phthalazin-1-one CAS Name: 4-[[5-(hydroxymethyl)-2-furanyl]methylamino]-2H-phthalazin-1-one IUPAC Name: 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2H-phthalazin-1-one Traditional Name: 4-[(5-methylol-2-furyl)methylamino]-2H-phthalazin-1-one Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCC3=CC=C(O3)CO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCC3=CC=C(O3)CO

InChI

InChI=1S/C14H13N3O3/c18-8-10-6-5-9(20-10)7-15-13-11-3-1-2-4-12(11)14(19)17-16-13/h1-6,18H,7-8H2,(H,15,16)(H,17,19)