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

Systemtic Name: 6-methyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-chromen-4-one Openeye Name: 6-methyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]chromen-4-one CAS Name: 6-methyl-2-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]chromen-4-one Traditional Name: 6-methyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]chromone Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C21H20N6O3/c1-13-3-4-17-14(9-13)16(28)10-18(30-17)21(29)27-7-5-26(6-8-27)20-15-11-24-25(2)19(15)22-12-23-20/h3-4,9-12H,5-8H2,1-2H3