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

Systemtic Name: 6-chloranyl-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-chloro-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-chloro-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-chloro-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-(6-chloro-5-nitro-pyrimidin-4-yl)amine Formula: C20H35ClN4O2 MolecularWeight: 398.9705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H35ClN4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-20-18(25(26)27)19(21)23-17-24-20/h17H,2-16H2,1H3,(H,22,23,24)