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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C20H24BrN7O MolecularWeight: 458.35486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN7O/c1-13-10-15(4-5-17(13)21)25-20(29)14(2)27-6-8-28(9-7-27)19-16-11-24-26(3)18(16)22-12-23-19/h4-5,10-12,14H,6-9H2,1-3H3,(H,25,29)