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

Systemtic Name: N4-(1-adamantyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N5O2/c1-14-2-4-15(5-3-14)12-23-20-19(27(28)29)21(25-13-24-20)26-22-9-16-6-17(10-22)8-18(7-16)11-22/h2-5,13,16-18H,6-12H2,1H3,(H2,23,24,25,26)