2-azanyl-1-[2-(2-azanyl-1-oxidanyl-ethyl)-4,8-bis(1,3-benzodioxol-5-ylmethylamino)pyrimido[5,4-d]pyrimidin-6-yl]ethanol

Systemtic Name: 2-azanyl-1-[2-(2-azanyl-1-oxidanyl-ethyl)-4,8-bis(1,3-benzodioxol-5-ylmethylamino)pyrimido[5,4-d]pyrimidin-6-yl]ethanol Openeye Name: 2-amino-1-[2-(2-amino-1-hydroxy-ethyl)-4,8-bis(1,3-benzodioxol-5-ylmethylamino)pyrimido[5,4-d]pyrimidin-6-yl]ethanol CAS Name: 2-amino-1-[2-(2-amino-1-hydroxyethyl)-4,8-bis(1,3-benzodioxol-5-ylmethylamino)-6-pyrimido[5,4-d]pyrimidinyl]ethanol IUPAC Name: 2-amino-1-[2-(2-amino-1-hydroxyethyl)-4,8-bis(1,3-benzodioxol-5-ylmethylamino)pyrimido[5,4-d]pyrimidin-6-yl]ethanol Traditional Name: 2-amino-1-[2-(2-amino-1-hydroxy-ethyl)-4,8-bis(piperonylamino)pyrimido[5,4-d]pyrimidin-6-yl]ethanol Formula: C26H28N8O6 MolecularWeight: 548.55052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3N=C(N=C4NCC5=CC6=C(C=C5)OCO6)C(CN)O)C(CN)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3N=C(N=C4NCC5=CC6=C(C=C5)OCO6)C(CN)O)C(CN)O

InChI

InChI=1S/C26H28N8O6/c27-7-15(35)23-32-22-21(25(33-23)29-9-13-1-3-17-19(5-13)39-11-37-17)31-24(16(36)8-28)34-26(22)30-10-14-2-4-18-20(6-14)40-12-38-18/h1-6,15-16,35-36H,7-12,27-28H2,(H,29,32,33)(H,30,31,34)