2-azanyl-7-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-4-chloranyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: 2-azanyl-7-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-4-chloranyl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: 2-amino-7-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: 2-amino-7-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: 2-amino-7-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: 2-amino-7-(2-bromo-3,4,5-trimethoxy-benzyl)-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C16H16BrClN4O4 MolecularWeight: 443.67964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C(=O)CC3=C2N=C(N=C3Cl)N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C(=O)CC3=C2N=C(N=C3Cl)N)Br)OC)OC

InChI

InChI=1S/C16H16BrClN4O4/c1-24-9-4-7(11(17)13(26-3)12(9)25-2)6-22-10(23)5-8-14(18)20-16(19)21-15(8)22/h4H,5-6H2,1-3H3,(H2,19,20,21)