5-(3-azido-4-piperazin-1-yl-phenyl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-(3-azido-4-piperazin-1-yl-phenyl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-(3-azido-4-piperazin-1-yl-phenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[3-azido-4-(1-piperazinyl)phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-(3-azido-4-piperazin-1-ylphenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-azido-4-piperazino-phenyl)-6-ethyl-pyrimidin-4-yl]amine Formula: C16H21N9 MolecularWeight: 339.39824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)N=[N+]=[N-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)N=[N+]=[N-]

InChI

InChI=1S/C16H21N9/c1-2-11-14(15(17)22-16(18)21-11)10-3-4-13(12(9-10)23-24-19)25-7-5-20-6-8-25/h3-4,9,20H,2,5-8H2,1H3,(H4,17,18,21,22)