4-azanyl-3-(1,3-benzodioxol-5-ylmethyl)quinazoline-2-thione

Systemtic Name: 4-azanyl-3-(1,3-benzodioxol-5-ylmethyl)quinazoline-2-thione Openeye Name: 4-amino-3-(1,3-benzodioxol-5-ylmethyl)quinazoline-2-thione CAS Name: 4-amino-3-(1,3-benzodioxol-5-ylmethyl)-2-quinazolinethione IUPAC Name: 4-amino-3-(1,3-benzodioxol-5-ylmethyl)quinazoline-2-thione Traditional Name: 4-amino-3-piperonyl-quinazoline-2-thione Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C4C=CC=CC4=NC3=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C4C=CC=CC4=NC3=S)N

InChI

InChI=1S/C16H13N3O2S/c17-15-11-3-1-2-4-12(11)18-16(22)19(15)8-10-5-6-13-14(7-10)21-9-20-13/h1-7H,8-9,17H2