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

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-propyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-propyl-5-(3-pyridylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-propyl-5-(3-pyridinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-propyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-propyl-5-(3-pyridylmethyl)-1H-pyrimidin-4-one Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)NCCSCC2=C(NC=N2)C)CC3=CN=CC=C3

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)NCCSCC2=C(NC=N2)C)CC3=CN=CC=C3

InChI

InChI=1S/C20H26N6OS/c1-3-5-17-16(10-15-6-4-7-21-11-15)19(27)26-20(25-17)22-8-9-28-12-18-14(2)23-13-24-18/h4,6-7,11,13H,3,5,8-10,12H2,1-2H3,(H,23,24)(H2,22,25,26,27)