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

Systemtic Name: N-hexadecyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-hexadecyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-hexadecyl-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-hexadecyl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: cetyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C26H40N4O2S MolecularWeight: 472.6864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H40N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-25-24(30(31)32)26(29-22-28-25)33-23-19-16-15-17-20-23/h15-17,19-20,22H,2-14,18,21H2,1H3,(H,27,28,29)