N4-(1,3-benzodioxol-5-yl)-N6-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C18H16FN5O2 MolecularWeight: 353.350343

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)F)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)F)N

InChI

InChI=1S/C18H16FN5O2/c19-12-3-1-11(2-4-12)8-21-17-16(20)18(23-9-22-17)24-13-5-6-14-15(7-13)26-10-25-14/h1-7,9H,8,10,20H2,(H2,21,22,23,24)