6-chloranyl-7-ethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]coumarin Formula: C22H23ClN6O2 MolecularWeight: 438.91002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C)Cl

InChI

InChI=1S/C22H23ClN6O2/c1-3-14-8-19-16(10-18(14)23)15(9-20(30)31-19)12-28-4-6-29(7-5-28)22-17-11-26-27(2)21(17)24-13-25-22/h8-11,13H,3-7,12H2,1-2H3