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

Systemtic Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: coumaran-5-ylmethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c1-22-5-7-23(8-6-22)18-16(24(25)26)17(20-12-21-18)19-11-13-2-3-15-14(10-13)4-9-27-15/h2-3,10,12H,4-9,11H2,1H3,(H,19,20,21)