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

Systemtic Name: 2-[2-[1-(1H-imidazol-5-yl)ethylsulfanyl]ethylamino]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[2-[1-(1H-imidazol-5-yl)ethylsulfanyl]ethylamino]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-[1-(1H-imidazol-5-yl)ethylthio]ethylamino]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[2-[1-(1H-imidazol-5-yl)ethylsulfanyl]ethylamino]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[2-[1-(1H-imidazol-5-yl)ethylthio]ethylamino]-6-methyl-1H-pyrimidin-4-one Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NCCSC(C)C2=CN=CN2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NCCSC(C)C2=CN=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5OS/c1-13-16(10-15-6-4-3-5-7-15)18(25)24-19(23-13)21-8-9-26-14(2)17-11-20-12-22-17/h3-7,11-12,14H,8-10H2,1-2H3,(H,20,22)(H2,21,23,24,25)