N6-hexadecyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-hexadecyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-hexadecyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C32H46N6O2 MolecularWeight: 546.74664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C32H46N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25-34-31-30(38(39)40)32(36-27-35-31)37(29-23-18-20-24-33-29)26-28-21-16-15-17-22-28/h15-18,20-24,27H,2-14,19,25-26H2,1H3,(H,34,35,36)