4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-thiophen-2-yl-quinazoline

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-thiophen-2-yl-quinazoline Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(2-thienyl)quinazoline CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-thiophen-2-ylquinazoline IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-(2-thienyl)quinazoline Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=NC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=NC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C25H24N4O2S/c1-2-5-20-19(4-1)25(27-24(26-20)23-6-3-15-32-23)29-11-9-28(10-12-29)17-18-7-8-21-22(16-18)31-14-13-30-21/h1-8,15-16H,9-14,17H2