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

Systemtic Name: N4-(1-adamantyl)-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(4-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=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

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