7-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-4-chloranyl-pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 7-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-4-chloranyl-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 7-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-4-chloro-pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 7-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-4-chloro-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-4-chloropyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-(2-bromo-3,4,5-trimethoxy-benzyl)-4-chloro-pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C16H16BrClN4O3 MolecularWeight: 427.68024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrClN4O3/c1-23-10-6-8(11(17)13(25-3)12(10)24-2)7-22-5-4-9-14(18)20-16(19)21-15(9)22/h4-6H,7H2,1-3H3,(H2,19,20,21)