5-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-pyrimidine-4,6-diamine

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-pyrimidine-4,6-diamine Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-pyrimidine-4,6-diamine CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrimidine-4,6-diamine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrimidine-4,6-diamine Traditional Name: (6-amino-2-phenyl-5-piperonyl-pyrimidin-4-yl)amine Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(N=C(N=C3N)C4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(N=C(N=C3N)C4=CC=CC=C4)N

InChI

InChI=1S/C18H16N4O2/c19-16-13(8-11-6-7-14-15(9-11)24-10-23-14)17(20)22-18(21-16)12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H4,19,20,21,22)