N4-(1-adamantyl)-N6-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-benzhydryl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-benzhydryl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NC(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NC(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O2/c33-32(34)24-25(30-23(21-7-3-1-4-8-21)22-9-5-2-6-10-22)28-17-29-26(24)31-27-14-18-11-19(15-27)13-20(12-18)16-27/h1-10,17-20,23H,11-16H2,(H2,28,29,30,31)