N6-hexadecyl-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(cetylamino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C27H50N6O2 MolecularWeight: 490.7249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(C)C2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(C)C2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C27H50N6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-26-25(33(34)35)27(30-23-29-26)32(3)24-18-21-31(2)22-19-24/h23-24H,4-22H2,1-3H3,(H,28,29,30)