5-nitro-N2,N4-bis(prop-2-ynyl)pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2,N4-bis(prop-2-ynyl)pyrimidine-2,4-diamine Openeye Name: 5-nitro-N2,N4-bis(prop-2-ynyl)pyrimidine-2,4-diamine CAS Name: 5-nitro-N2,N4-bis(prop-2-ynyl)pyrimidine-2,4-diamine IUPAC Name: 5-nitro-2-N,4-N-bis(prop-2-ynyl)pyrimidine-2,4-diamine Traditional Name: [5-nitro-2-(propargylamino)pyrimidin-4-yl]-propargyl-amine Formula: C10H9N5O2 MolecularWeight: 231.21076

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1[N+](=O)[O-])NCC#C

Isomeric SMILES

C#CCNC1=NC(=NC=C1[N+](=O)[O-])NCC#C

InChI

InChI=1S/C10H9N5O2/c1-3-5-11-9-8(15(16)17)7-13-10(14-9)12-6-4-2/h1-2,7H,5-6H2,(H2,11,12,13,14)