N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(5-methylthiophen-2-yl)pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(5-methylthiophen-2-yl)pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(5-methyl-2-thienyl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-imidazolyl)-5-(5-methyl-2-thiophenyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(5-methylthiophen-2-yl)pyrimidin-4-amine Traditional Name: [2-imidazol-1-yl-5-(5-methyl-2-thienyl)pyrimidin-4-yl]-piperonyl-amine Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CN=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

Isomeric SMILES

CC1=CC=C(S1)C2=CN=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

InChI

InChI=1S/C20H17N5O2S/c1-13-2-5-18(28-13)15-10-23-20(25-7-6-21-11-25)24-19(15)22-9-14-3-4-16-17(8-14)27-12-26-16/h2-8,10-11H,9,12H2,1H3,(H,22,23,24)