6-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c24-23(25)16-17(19-12-20-18(16)22-7-3-1-2-4-8-22)21-13-5-6-14-15(11-13)27-10-9-26-14/h5-6,11-12H,1-4,7-10H2,(H,19,20,21)