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

Systemtic Name: 5-[(3-hydroxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(3-hydroxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-[(3-hydroxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(3-hydroxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(3-hydroxybenzyl)-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=C(C(=O)N2)CC3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=CC=C3)O

InChI

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