N4-(1-adamantyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C24H31N5O4/c1-32-19-4-3-15(10-20(19)33-2)5-6-25-22-21(29(30)31)23(27-14-26-22)28-24-11-16-7-17(12-24)9-18(8-16)13-24/h3-4,10,14,16-18H,5-9,11-13H2,1-2H3,(H2,25,26,27,28)