4-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine

Systemtic Name: 4-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine Openeye Name: 4-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine CAS Name: 4-(4-methyl-1-piperazinyl)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine IUPAC Name: 4-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine Traditional Name: [4-(4-methylpiperazino)-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-yl]amine Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC3=C2CCOC4=CC=CC=C43)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC3=C2CCOC4=CC=CC=C43)N

InChI

InChI=1S/C17H21N5O/c1-21-7-9-22(10-8-21)16-13-6-11-23-14-5-3-2-4-12(14)15(13)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)