6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine

Systemtic Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine Openeye Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]pteridine-2,4-diamine CAS Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine IUPAC Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine Traditional Name: [2-amino-6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]pteridin-4-yl]amine Formula: C15H12N6O2 MolecularWeight: 308.29478

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C15H12N6O2/c16-13-12-14(21-15(17)20-13)18-6-9(19-12)3-1-8-2-4-10-11(5-8)23-7-22-10/h1-6H,7H2,(H4,16,17,18,20,21)/b3-1+