6-bromanyl-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one CAS Name: 6-bromo-3-[oxo-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-3-[4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carbonyl]coumarin Formula: C22H22BrN5O3 MolecularWeight: 484.34578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

InChI

InChI=1S/C22H22BrN5O3/c23-16-3-4-18-15(11-16)12-17(22(30)31-18)21(29)28-9-7-27(8-10-28)20-13-19(24-14-25-20)26-5-1-2-6-26/h3-4,11-14H,1-2,5-10H2