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

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N5O3S/c1-13-16(24-12-23-13)11-29-7-4-21-20-22-10-15(19(26)25-20)8-14-2-3-17-18(9-14)28-6-5-27-17/h2-3,9-10,12H,4-8,11H2,1H3,(H,23,24)(H2,21,22,25,26)