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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-chloro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C19H13ClN4O2S MolecularWeight: 396.85012

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CN=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CN=CC=C5)Cl

InChI

InChI=1S/C19H13ClN4O2S/c20-16-7-13-18(22-8-11-3-4-14-15(6-11)26-10-25-14)23-17(24-19(13)27-16)12-2-1-5-21-9-12/h1-7,9H,8,10H2,(H,22,23,24)