6-azanyl-5-(1,3-benzodioxol-5-ylmethyl)-1H-pyrimidine-2-thione

Systemtic Name: 6-azanyl-5-(1,3-benzodioxol-5-ylmethyl)-1H-pyrimidine-2-thione Openeye Name: 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-1H-pyrimidine-2-thione CAS Name: 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-1H-pyrimidine-2-thione IUPAC Name: 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-1H-pyrimidine-2-thione Traditional Name: 6-amino-5-piperonyl-1H-pyrimidine-2-thione Formula: C12H11N3O2S MolecularWeight: 261.29964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(NC(=S)N=C3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(NC(=S)N=C3)N

InChI

InChI=1S/C12H11N3O2S/c13-11-8(5-14-12(18)15-11)3-7-1-2-9-10(4-7)17-6-16-9/h1-2,4-5H,3,6H2,(H3,13,14,15,18)