6-[(1,3-benzodioxol-5-ylamino)methyl]pteridine-2,4-diamine

Systemtic Name: 6-[(1,3-benzodioxol-5-ylamino)methyl]pteridine-2,4-diamine Openeye Name: 6-[(1,3-benzodioxol-5-ylamino)methyl]pteridine-2,4-diamine CAS Name: 6-[(1,3-benzodioxol-5-ylamino)methyl]pteridine-2,4-diamine IUPAC Name: 6-[(1,3-benzodioxol-5-ylamino)methyl]pteridine-2,4-diamine Traditional Name: 1,3-benzodioxol-5-yl-[(2,4-diaminopteridin-6-yl)methyl]amine Formula: C14H13N7O2 MolecularWeight: 311.29872

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C14H13N7O2/c15-12-11-13(21-14(16)20-12)18-5-8(19-11)4-17-7-1-2-9-10(3-7)23-6-22-9/h1-3,5,17H,4,6H2,(H4,15,16,18,20,21)