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

Systemtic Name: 5-[3-azido-4-(4-methylpiperazin-1-yl)phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-azido-4-(4-methylpiperazin-1-yl)phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[3-azido-4-(4-methyl-1-piperazinyl)phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[3-azido-4-(4-methylpiperazin-1-yl)phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-azido-4-(4-methylpiperazino)phenyl]-6-ethyl-pyrimidin-4-yl]amine Formula: C17H23N9 MolecularWeight: 353.42482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCN(CC3)C)N=[N+]=[N-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCN(CC3)C)N=[N+]=[N-]

InChI

InChI=1S/C17H23N9/c1-3-12-15(16(18)22-17(19)21-12)11-4-5-14(13(10-11)23-24-20)26-8-6-25(2)7-9-26/h4-5,10H,3,6-9H2,1-2H3,(H4,18,19,21,22)