N2-(1,3-benzodioxol-5-ylmethyl)-N4-(phenylmethyl)pteridine-2,4-diamine

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-N4-(phenylmethyl)pteridine-2,4-diamine Openeye Name: N2-(1,3-benzodioxol-5-ylmethyl)-N4-benzyl-pteridine-2,4-diamine CAS Name: N2-(1,3-benzodioxol-5-ylmethyl)-N4-(phenylmethyl)pteridine-2,4-diamine IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzylpteridine-2,4-diamine Traditional Name: benzyl-[2-(piperonylamino)pteridin-4-yl]amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=NC=CN=C4C(=N3)NCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=NC=CN=C4C(=N3)NCC5=CC=CC=C5

InChI

InChI=1S/C21H18N6O2/c1-2-4-14(5-3-1)11-24-20-18-19(23-9-8-22-18)26-21(27-20)25-12-15-6-7-16-17(10-15)29-13-28-16/h1-10H,11-13H2,(H2,23,24,25,26,27)