5-[4-(1,3-benzodioxol-4-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(1,3-benzodioxol-4-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 5-[4-(1,3-benzodioxol-4-ylmethylamino)phenyl]-6-(benzyloxymethyl)pyrimidine-2,4-diamine CAS Name: 5-[4-(1,3-benzodioxol-4-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-(1,3-benzodioxol-4-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: 1,3-benzodioxol-4-ylmethyl-[4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]amine Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=CC=C(C=C3)C4=C(N=C(N=C4N)N)COCC5=CC=CC=C5

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=CC=C(C=C3)C4=C(N=C(N=C4N)N)COCC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3/c27-25-23(21(30-26(28)31-25)15-32-14-17-5-2-1-3-6-17)18-9-11-20(12-10-18)29-13-19-7-4-8-22-24(19)34-16-33-22/h1-12,29H,13-16H2,(H4,27,28,30,31)