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

Systemtic Name: N4-(1-adamantyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(p-anisidino)pyrimidin-4-yl]amine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-29-17-4-2-16(3-5-17)24-19-18(26(27)28)20(23-12-22-19)25-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H2,22,23,24,25)