N-[3-[(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methyl-phenyl]-3-methyl-benzamide

Systemtic Name: N-[3-[(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methyl-phenyl]-3-methyl-benzamide Openeye Name: N-[3-[(6-amino-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methyl-phenyl]-3-methyl-benzamide CAS Name: N-[3-[(6-amino-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl)amino]-4-methylphenyl]-3-methylbenzamide IUPAC Name: N-[3-[(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]-3-methylbenzamide Traditional Name: N-[3-[(6-amino-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methyl-phenyl]-3-methyl-benzamide Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C)NC3=NN(C4=NC(=NC=C34)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C)NC3=NN(C4=NC(=NC=C34)N)C

InChI

InChI=1S/C21H21N7O/c1-12-5-4-6-14(9-12)20(29)24-15-8-7-13(2)17(10-15)25-18-16-11-23-21(22)26-19(16)28(3)27-18/h4-11H,1-3H3,(H,24,29)(H,25,27)(H2,22,23,26)