N-hexadecyl-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-isopropoxy-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-5-nitro-6-propan-2-yloxy-4-pyrimidinamine IUPAC Name: N-hexadecyl-5-nitro-6-propan-2-yloxypyrimidin-4-amine Traditional Name: cetyl-(6-isopropoxy-5-nitro-pyrimidin-4-yl)amine Formula: C23H42N4O3 MolecularWeight: 422.60458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22-21(27(28)29)23(26-19-25-22)30-20(2)3/h19-20H,4-18H2,1-3H3,(H,24,25,26)