5-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1H-pyrimidin-6-one Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C17H21N3O2/c1-2-3-8-14-15(21)18-17(19-16(14)22)20-10-9-12-6-4-5-7-13(12)11-20/h4-7H,2-3,8-11H2,1H3,(H2,18,19,21,22)