N6-hexadecyl-5-nitro-N4-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C27H50N6O2 MolecularWeight: 490.7249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NCCN2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NCCN2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C27H50N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-28-26-25(33(34)35)27(31-24-30-26)29-20-23-32-21-17-15-18-22-32/h24H,2-23H2,1H3,(H2,28,29,30,31)