N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-3,4,4a,8a-tetrahydroquinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-3,4,4a,8a-tetrahydroquinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3,4,4a,8a-tetrahydroquinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3,4,4a,8a-tetrahydroquinazolin-4-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3,4,4a,8a-tetrahydroquinazolin-4-amine Traditional Name: (6-chloro-3,4,4a,8a-tetrahydroquinazolin-4-yl)-piperonyl-amine Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3C4C=C(C=CC4N=CN3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3C4C=C(C=CC4N=CN3)Cl

InChI

InChI=1S/C16H16ClN3O2/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-14-15(5-10)22-9-21-14/h1-6,8,12-13,16,18H,7,9H2,(H,19,20)