2-(azepan-1-yl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-(azepan-1-yl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(azepan-1-yl)-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(1-azepanyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-(azepan-1-yl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H20N6O3 MolecularWeight: 332.3577

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

InChI

InChI=1S/C15H20N6O3/c16-13-12(21(22)23)14(17-10-11-6-5-9-24-11)19-15(18-13)20-7-3-1-2-4-8-20/h5-6,9H,1-4,7-8,10H2,(H3,16,17,18,19)