2-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]pyrimido[2,1-a]isoquinolin-4-one

Systemtic Name: 2-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]pyrimido[2,1-a]isoquinolin-4-one Openeye Name: 2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]pyrimido[2,1-a]isoquinolin-4-one CAS Name: 2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-4-pyrimido[2,1-a]isoquinolinone IUPAC Name: 2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]pyrimido[2,1-a]isoquinolin-4-one Traditional Name: 2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]pyrimid[2,1-a]isoquinolin-4-one Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN3C2=NC(=CC3=O)NCC(C4=CC(=CC=C4)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN3C2=NC(=CC3=O)NCC(C4=CC(=CC=C4)O)O

InChI

InChI=1S/C20H17N3O3/c24-15-6-3-5-14(10-15)17(25)12-21-18-11-19(26)23-9-8-13-4-1-2-7-16(13)20(23)22-18/h1-11,17,21,24-25H,12H2