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

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

Systemtic Name:N4-(1-adamantyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine
Openeye Name:N4-(1-adamantyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine
CAS Name:N4-(1-adamantyl)-N6-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
IUPAC Name:4-N-(1-adamantyl)-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Traditional Name:1-adamantyl-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine
Formula: C22H27N5O3
MolecularWeight: 409.48148
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]


Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]


InChI

InChI=1S/C22H27N5O3/c1-2-30-18-5-3-17(4-6-18)25-20-19(27(28)29)21(24-13-23-20)26-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,2,7-12H2,1H3,(H2,23,24,25,26)


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