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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)N5C=CN=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)N5C=CN=C5)Cl

InChI

InChI=1S/C18H14ClN5O2S/c19-15-8-12-16(22-18(23-17(12)27-15)24-6-5-20-9-24)21-4-3-11-1-2-13-14(7-11)26-10-25-13/h1-2,5-9H,3-4,10H2,(H,21,22,23)