5-(1,3-benzothiazol-2-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(1,3-benzothiazol-2-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(1,3-benzothiazol-2-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(1,3-benzothiazol-2-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(1,3-benzothiazol-2-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C19H20N6OS2 MolecularWeight: 412.5317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N6OS2/c1-12-15(23-11-22-12)10-27-7-6-20-19-21-9-13(18(26)25-19)8-17-24-14-4-2-3-5-16(14)28-17/h2-5,9,11H,6-8,10H2,1H3,(H,22,23)(H2,20,21,25,26)