N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine

Systemtic Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine Openeye Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]thiazol-2-amine CAS Name: N-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-2-thiazolamine IUPAC Name: N-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,3-thiazol-2-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O2S/c20-19(21)10-11(17-13-14-5-8-22-13)15-9-16-12(10)18-6-3-1-2-4-7-18/h5,8-9H,1-4,6-7H2,(H,14,15,16,17)