6-(2-bromanyl-6-propoxy-phenyl)-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(2-bromanyl-6-propoxy-phenyl)-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(2-bromo-6-propoxy-phenyl)-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2-bromo-6-propoxyphenyl)-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(2-bromo-6-propoxyphenyl)-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(2-bromo-6-propoxy-phenyl)-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H21BrN4O2 MolecularWeight: 405.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC=C3Br)OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC=C3Br)OCCC

InChI

InChI=1S/C18H21BrN4O2/c1-4-9-23-17-14(11(3)22-23)18(24)21-16(20-17)15-12(19)7-6-8-13(15)25-10-5-2/h6-8,22H,4-5,9-10H2,1-3H3