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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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