5-(isoquinolin-4-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-(isoquinolin-4-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(4-isoquinolylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(4-isoquinolinylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(isoquinolin-4-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(4-isoquinolylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N6OS/c1-14-19(26-13-25-14)12-29-7-6-23-21-24-11-17(20(28)27-21)8-16-10-22-9-15-4-2-3-5-18(15)16/h2-5,9-11,13H,6-8,12H2,1H3,(H,25,26)(H2,23,24,27,28)