N-cycloheptyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-cycloheptyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-cycloheptyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-cycloheptyl-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-cycloheptyl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: cycloheptyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2S/c22-21(23)15-16(20-13-8-4-1-2-5-9-13)18-12-19-17(15)24-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H,18,19,20)