5-(isoquinolin-4-ylmethyl)-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-(isoquinolin-4-ylmethyl)-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one Openeye Name: 5-(4-isoquinolylmethyl)-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one CAS Name: 5-(4-isoquinolinylmethyl)-2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(isoquinolin-4-ylmethyl)-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one Traditional Name: 5-(4-isoquinolylmethyl)-2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-1H-pyrimidin-6-one Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C22H24N6OS/c1-15-20(27-14-26-15)13-30-8-4-7-24-22-25-12-18(21(29)28-22)9-17-11-23-10-16-5-2-3-6-19(16)17/h2-3,5-6,10-12,14H,4,7-9,13H2,1H3,(H,26,27)(H2,24,25,28,29)