2-[4-[(4-bromophenyl)amino]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]ethanol

Systemtic Name: 2-[4-[(4-bromophenyl)amino]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]ethanol Openeye Name: 2-[4-(4-bromoanilino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]ethanol CAS Name: 2-[4-(4-bromoanilino)-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl]ethanol IUPAC Name: 2-[4-(4-bromoanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol Traditional Name: 2-[4-(4-bromoanilino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]ethanol Formula: C16H17BrN4O MolecularWeight: 361.23638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=C(C=C3)Br)CCO)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=C(C=C3)Br)CCO)C

InChI

InChI=1S/C16H17BrN4O/c1-10-11(2)21(7-8-22)16-14(10)15(18-9-19-16)20-13-5-3-12(17)4-6-13/h3-6,9,22H,7-8H2,1-2H3,(H,18,19,20)