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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloranyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloro-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-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)-homopiperonyl-amine Formula: C19H14ClN5O2S MolecularWeight: 411.86476

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=NC=CN=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=NC=CN=C5)Cl

InChI

InChI=1S/C19H14ClN5O2S/c20-16-8-12-17(23-4-3-11-1-2-14-15(7-11)27-10-26-14)24-18(25-19(12)28-16)13-9-21-5-6-22-13/h1-2,5-9H,3-4,10H2,(H,23,24,25)