2-[2-(isoquinolin-1-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(isoquinolin-1-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-(1-isoquinolylmethylsulfanyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-(1-isoquinolinylmethylthio)ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-(isoquinolin-1-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-(1-isoquinolylmethylthio)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CSCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CSCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

InChI

InChI=1S/C22H21N5OS/c28-21-18(12-16-4-3-8-23-13-16)14-26-22(27-21)25-10-11-29-15-20-19-6-2-1-5-17(19)7-9-24-20/h1-9,13-14H,10-12,15H2,(H2,25,26,27,28)