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

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-4-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 4-benzyloxy-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-4-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-4-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 4-benzoxy-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC(=CC(=O)N2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC(=CC(=O)N2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2S/c1-13-15(21-12-20-13)11-26-8-7-19-18-22-16(24)9-17(23-18)25-10-14-5-3-2-4-6-14/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,21)(H2,19,22,23,24)