N-cyclopropyl-3-[4-(3-iodanylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[4-(3-iodanylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[4-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[4-(3-iodophenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[4-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[4-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-benzamide Formula: C22H18IN5O MolecularWeight: 495.31569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C4=NC=NC(=C4C=N3)C5=CC(=CC=C5)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C4=NC=NC(=C4C=N3)C5=CC(=CC=C5)I

InChI

InChI=1S/C22H18IN5O/c1-13-5-6-15(22(29)27-17-7-8-17)10-19(13)28-21-18(11-26-28)20(24-12-25-21)14-3-2-4-16(23)9-14/h2-6,9-12,17H,7-8H2,1H3,(H,27,29)