N-(2-methoxy-5-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H27N7O2/c1-14-5-6-18(30-4)17(11-14)25-21(29)15(2)27-7-9-28(10-8-27)20-16-12-24-26(3)19(16)22-13-23-20/h5-6,11-13,15H,7-10H2,1-4H3,(H,25,29)