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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-chloro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C18H12ClN5O2S MolecularWeight: 397.83818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O2S/c19-15-6-11-16(22-7-10-1-2-13-14(5-10)26-9-25-13)23-17(24-18(11)27-15)12-8-20-3-4-21-12/h1-6,8H,7,9H2,(H,22,23,24)