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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-5-pentyl-1H-pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-5-pentyl-1H-pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-5-pentyl-1H-pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1H-pyrimidin-4-one Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H25N3O/c1-3-4-5-10-17-14(2)20-19(21-18(17)23)22-12-11-15-8-6-7-9-16(15)13-22/h6-9H,3-5,10-13H2,1-2H3,(H,20,21,23)