4-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(piperonylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H18N4O2S/c1-13-3-6-15(7-4-13)19-16(10-22)20(25-21(24-19)28-2)23-11-14-5-8-17-18(9-14)27-12-26-17/h3-9H,11-12H2,1-2H3,(H,23,24,25)