2-(1,3-benzodioxol-5-ylmethylamino)-4-[(E)-2-thiophen-2-ylethenyl]indeno[1,2-d]pyrimidin-5-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-[(E)-2-thiophen-2-ylethenyl]indeno[1,2-d]pyrimidin-5-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-[(E)-2-(2-thienyl)vinyl]indeno[1,2-d]pyrimidin-5-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-[(E)-2-thiophen-2-ylethenyl]-5-indeno[1,2-d]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-[(E)-2-thiophen-2-ylethenyl]indeno[1,2-d]pyrimidin-5-one Traditional Name: 2-(piperonylamino)-4-[(E)-2-(2-thienyl)vinyl]indeno[1,2-d]pyrimidin-5-one Formula: C25H17N3O3S MolecularWeight: 439.48578

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=C(C(=N3)C=CC5=CC=CS5)C(=O)C6=CC=CC=C64

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=C(C(=N3)/C=C/C5=CC=CS5)C(=O)C6=CC=CC=C64

InChI

InChI=1S/C25H17N3O3S/c29-24-18-6-2-1-5-17(18)23-22(24)19(9-8-16-4-3-11-32-16)27-25(28-23)26-13-15-7-10-20-21(12-15)31-14-30-20/h1-12H,13-14H2,(H,26,27,28)/b9-8+