N4-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzotriazolyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]-piperonyl-amine Formula: C18H15N7O2 MolecularWeight: 361.3574

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H15N7O2/c19-16-17(20-8-11-5-6-14-15(7-11)27-10-26-14)21-9-22-18(16)25-13-4-2-1-3-12(13)23-24-25/h1-7,9H,8,10,19H2,(H,20,21,22)