2-azanyl-6,7-bis(1,3-benzodioxol-5-yl)-1H-pteridin-4-one

Systemtic Name: 2-azanyl-6,7-bis(1,3-benzodioxol-5-yl)-1H-pteridin-4-one Openeye Name: 2-amino-6,7-bis(1,3-benzodioxol-5-yl)-1H-pteridin-4-one CAS Name: 2-amino-6,7-bis(1,3-benzodioxol-5-yl)-1H-pteridin-4-one IUPAC Name: 2-amino-6,7-bis(1,3-benzodioxol-5-yl)-1H-pteridin-4-one Traditional Name: 2-amino-6,7-bis(1,3-benzodioxol-5-yl)-1H-pteridin-4-one Formula: C20H13N5O5 MolecularWeight: 403.34772

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(NC(=NC4=O)N)N=C3C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(NC(=NC4=O)N)N=C3C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C20H13N5O5/c21-20-24-18-17(19(26)25-20)22-15(9-1-3-11-13(5-9)29-7-27-11)16(23-18)10-2-4-12-14(6-10)30-8-28-12/h1-6H,7-8H2,(H3,21,23,24,25,26)