N-(3H-1,2-benzodioxol-6-ylmethyl)-2-imidazol-1-yl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-imidazol-1-yl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-imidazol-1-yl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-(1-imidazolyl)-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-imidazol-1-yl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 3H-1,2-benzodioxol-6-ylmethyl-(2-imidazol-1-yl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(COO4)C=C3)N5C=CN=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(COO4)C=C3)N5C=CN=C5)C

InChI

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