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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(2-methyl-1-imidazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-chloro-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C18H14ClN5O2S MolecularWeight: 399.85406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)Cl)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)Cl)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H14ClN5O2S/c1-10-20-4-5-24(10)18-22-16(12-7-15(19)27-17(12)23-18)21-8-11-2-3-13-14(6-11)26-9-25-13/h2-7H,8-9H2,1H3,(H,21,22,23)