2-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl]isoindole-1,3-dione Openeye Name: 2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-benzyloxy-propyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-benzoxy-propyl]isoindoline-1,3-quinone Formula: C24H22N6O5 MolecularWeight: 474.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CN2C(=O)C3=CC=CC=C3C2=O)OCN4C=NC5=C4NC(=NC5=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(CN2C(=O)C3=CC=CC=C3C2=O)OCN4C=NC5=C4NC(=NC5=O)N

InChI

InChI=1S/C24H22N6O5/c25-24-27-20-19(21(31)28-24)26-13-29(20)14-35-16(12-34-11-15-6-2-1-3-7-15)10-30-22(32)17-8-4-5-9-18(17)23(30)33/h1-9,13,16H,10-12,14H2,(H3,25,27,28,31)