2-(2-isoquinolin-1-ylethylamino)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-(2-isoquinolin-1-ylethylamino)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-(1-isoquinolyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-(1-isoquinolinyl)ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-(2-isoquinolin-1-ylethylamino)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-(1-isoquinolyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

InChI

InChI=1S/C21H19N5O/c27-20-17(12-15-4-3-9-22-13-15)14-25-21(26-20)24-11-8-19-18-6-2-1-5-16(18)7-10-23-19/h1-7,9-10,13-14H,8,11-12H2,(H2,24,25,26,27)