N4-(1-adamantyl)-N6-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N5O3/c1-11(9-26-2)21-16-15(23(24)25)17(20-10-19-16)22-18-6-12-3-13(7-18)5-14(4-12)8-18/h10-14H,3-9H2,1-2H3,(H2,19,20,21,22)