N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2S/c23-22(24)16-17(19-12-11-14-7-3-1-4-8-14)20-13-21-18(16)25-15-9-5-2-6-10-15/h2,5-7,9-10,13H,1,3-4,8,11-12H2,(H,19,20,21)