N4-(1,3-benzodioxol-5-yl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-[3-(1-imidazolyl)propyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCCCN4C=CN=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCCCN4C=CN=C4)N

InChI

InChI=1S/C17H19N7O2/c18-15-16(20-4-1-6-24-7-5-19-10-24)21-9-22-17(15)23-12-2-3-13-14(8-12)26-11-25-13/h2-3,5,7-10H,1,4,6,11,18H2,(H2,20,21,22,23)