N4-(1-adamantyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN5O2/c22-17-4-2-1-3-16(17)11-23-19-18(27(28)29)20(25-12-24-19)26-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,12-15H,5-11H2,(H2,23,24,25,26)