9-iodanyl-4-piperazin-1-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine

Systemtic Name: 9-iodanyl-4-piperazin-1-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine Openeye Name: 9-iodo-4-piperazin-1-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine CAS Name: 9-iodo-4-(1-piperazinyl)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine IUPAC Name: 9-iodo-4-piperazin-1-yl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine Traditional Name: (9-iodo-4-piperazino-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-yl)amine Formula: C16H18IN5O MolecularWeight: 423.25149

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC(=C2)I)C3=C1C(=NC(=N3)N)N4CCNCC4

Isomeric SMILES

C1COC2=C(C=CC(=C2)I)C3=C1C(=NC(=N3)N)N4CCNCC4

InChI

InChI=1S/C16H18IN5O/c17-10-1-2-11-13(9-10)23-8-3-12-14(11)20-16(18)21-15(12)22-6-4-19-5-7-22/h1-2,9,19H,3-8H2,(H2,18,20,21)