N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-2-imidazol-1-yl-thieno[2,3-d]pyrimidin-4-amine; methanesulfonic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-2-imidazol-1-yl-thieno[2,3-d]pyrimidin-4-amine; methanesulfonic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-2-imidazol-1-yl-thieno[2,3-d]pyrimidin-4-amine; methanesulfonic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-2-(1-imidazolyl)-4-thieno[2,3-d]pyrimidinamine; methanesulfonic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-2-imidazol-1-ylthieno[2,3-d]pyrimidin-4-amine; methanesulfonic acid Traditional Name: (6-ethyl-2-imidazol-1-yl-thieno[2,3-d]pyrimidin-4-yl)-piperonyl-amine; mesylic acid Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)N3C=CN=C3)NCC4=CC5=C(C=C4)OCO5.CS(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)N3C=CN=C3)NCC4=CC5=C(C=C4)OCO5.CS(=O)(=O)O

InChI

InChI=1S/C19H17N5O2S.CH4O3S/c1-2-13-8-14-17(21-9-12-3-4-15-16(7-12)26-11-25-15)22-19(23-18(14)27-13)24-6-5-20-10-24;1-5(2,3)4/h3-8,10H,2,9,11H2,1H3,(H,21,22,23);1H3,(H,2,3,4)