N4-(1-adamantyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-allyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(allylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H23N5O2/c1-2-3-18-15-14(22(23)24)16(20-10-19-15)21-17-7-11-4-12(8-17)6-13(5-11)9-17/h2,10-13H,1,3-9H2,(H2,18,19,20,21)