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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-5-piperonyl-1H-pyrimidin-6-one Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CS(=O)CCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(N=CN1)CS(=O)CCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N5O4S/c1-12-15(23-10-22-12)9-29(26)5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)28-11-27-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)