[8-bromanyl-6-oxidanylidene-2-[(phenylmethyl)amino]-3H-purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [8-bromanyl-6-oxidanylidene-2-[(phenylmethyl)amino]-3H-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-(benzylamino)-8-bromo-6-oxo-3H-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-bromo-6-oxo-2-[(phenylmethyl)amino]-3H-purin-7-yl]methyl ester IUPAC Name: [2-(benzylamino)-8-bromo-6-oxo-3H-purin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(benzylamino)-8-bromo-6-keto-3H-purin-7-yl]methyl ester Formula: C18H20BrN5O3 MolecularWeight: 434.2871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C2=C(NC(=NC2=O)NCC3=CC=CC=C3)N=C1Br

Isomeric SMILES

CC(C)(C)C(=O)OCN1C2=C(NC(=NC2=O)NCC3=CC=CC=C3)N=C1Br

InChI

InChI=1S/C18H20BrN5O3/c1-18(2,3)15(26)27-10-24-12-13(21-16(24)19)22-17(23-14(12)25)20-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,20,22,23,25)