N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-6-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-6-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: coumaran-5-ylmethyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C17H19N5O4/c23-22(24)15-16(19-11-20-17(15)21-4-7-25-8-5-21)18-10-12-1-2-14-13(9-12)3-6-26-14/h1-2,9,11H,3-8,10H2,(H,18,19,20)