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

Systemtic Name: 5-(1,3-benzodioxol-4-ylmethyl)-3-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyrimidin-4-one Openeye Name: 5-(1,3-benzodioxol-4-ylmethyl)-3-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyrimidin-4-one CAS Name: 5-(1,3-benzodioxol-4-ylmethyl)-3-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-4-pyrimidinone IUPAC Name: 5-(1,3-benzodioxol-4-ylmethyl)-3-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyrimidin-4-one Traditional Name: 5-(1,3-benzodioxol-4-ylmethyl)-3-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]pyrimidin-4-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)N2C)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2C)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C20H23N5O3S/c1-13-16(24-11-23-13)10-29-7-6-21-20-22-9-15(19(26)25(20)2)8-14-4-3-5-17-18(14)28-12-27-17/h3-5,9,11H,6-8,10,12H2,1-2H3,(H,21,22)(H,23,24)