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

Systemtic Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-4-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C18H20N6O2S/c1-12-7-6-8-13-14(12)21-18(27-13)22-16-15(24(25)26)17(20-11-19-16)23-9-4-2-3-5-10-23/h6-8,11H,2-5,9-10H2,1H3,(H,19,20,21,22)