9-iodanyl-6-pyrrolo[3,4-b]pyridin-6-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine

Systemtic Name: 9-iodanyl-6-pyrrolo[3,4-b]pyridin-6-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine Openeye Name: 9-iodo-6-pyrrolo[3,4-b]pyridin-6-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine CAS Name: 9-iodo-6-(6-pyrrolo[3,4-b]pyridinyl)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine IUPAC Name: 9-iodo-6-pyrrolo[3,4-b]pyridin-6-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine Traditional Name: (9-iodo-6-pyrrolo[3,4-b]pyridin-6-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-yl)amine Formula: C19H14IN5O MolecularWeight: 455.25183

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC(=C2)I)C3=NC(=NC=C31)N)N4C=C5C=CC=NC5=C4

Isomeric SMILES

C1C(OC2=C(C=CC(=C2)I)C3=NC(=NC=C31)N)N4C=C5C=CC=NC5=C4

InChI

InChI=1S/C19H14IN5O/c20-13-3-4-14-16(7-13)26-17(6-12-8-23-19(21)24-18(12)14)25-9-11-2-1-5-22-15(11)10-25/h1-5,7-10,17H,6H2,(H2,21,23,24)