N-[4-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]phenyl]methanamide

Systemtic Name: N-[4-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]phenyl]methanamide Openeye Name: N-[4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]phenyl]formamide CAS Name: N-[4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]phenyl]formamide IUPAC Name: N-[4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]phenyl]formamide Traditional Name: N-[4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]phenyl]formamide Formula: C19H16ClN7O MolecularWeight: 393.82964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C(=NN3)NCC4=CC=C(C=C4)NC=O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C(=NN3)NCC4=CC=C(C=C4)NC=O

InChI

InChI=1S/C19H16ClN7O/c20-13-2-1-3-15(8-13)25-17-16-18(26-27-19(16)23-10-22-17)21-9-12-4-6-14(7-5-12)24-11-28/h1-8,10-11H,9H2,(H,24,28)(H3,21,22,23,25,26,27)