N2-(5-chloranyl-2-methoxy-phenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(5-chloranyl-2-methoxy-phenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(5-chloro-2-methoxy-phenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(5-chloro-2-methoxyphenyl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenylpiperazino)methyl]-s-triazin-2-yl]-(5-chloro-2-methoxy-phenyl)amine Formula: C21H24ClN7O MolecularWeight: 425.91456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN7O/c1-30-18-8-7-15(22)13-17(18)24-21-26-19(25-20(23)27-21)14-28-9-11-29(12-10-28)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H3,23,24,25,26,27)