methyl 2-[3-[[6-azanyl-8-bromanyl-2-(oxolan-2-ylmethoxy)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-8-bromanyl-2-(oxolan-2-ylmethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-bromo-2-(tetrahydrofuran-2-ylmethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-bromo-2-(2-oxolanylmethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-bromo-2-(oxolan-2-ylmethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-bromo-2-(tetrahydrofurfuryloxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C20H22BrN5O4 MolecularWeight: 476.32378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4CCCO4)N)N=C2Br

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4CCCO4)N)N=C2Br

InChI

InChI=1S/C20H22BrN5O4/c1-28-15(27)9-12-4-2-5-13(8-12)10-26-18-16(23-19(26)21)17(22)24-20(25-18)30-11-14-6-3-7-29-14/h2,4-5,8,14H,3,6-7,9-11H2,1H3,(H2,22,24,25)