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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 1-(1,3-benzodioxol-5-yl)ethyl-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC(C)C3=CC4=C(C=C3)OCO4)C5=CC=CS5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC(C)C3=CC4=C(C=C3)OCO4)C5=CC=CS5)C

InChI

InChI=1S/C21H19N3O2S2/c1-11-13(3)28-21-18(11)20(23-19(24-21)17-5-4-8-27-17)22-12(2)14-6-7-15-16(9-14)26-10-25-15/h4-9,12H,10H2,1-3H3,(H,22,23,24)