ethyl 4-[[4-azanyl-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-amino-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-yl]amino]benzoate CAS Name: 4-[[4-amino-6-[(4-methyl-1-piperazinyl)methyl]-1,3,5-triazin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-yl]amino]benzoate Traditional Name: 4-[[4-amino-6-[(4-methylpiperazino)methyl]-s-triazin-2-yl]amino]benzoic acid ethyl ester Formula: C18H25N7O2 MolecularWeight: 371.4368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C

InChI

InChI=1S/C18H25N7O2/c1-3-27-16(26)13-4-6-14(7-5-13)20-18-22-15(21-17(19)23-18)12-25-10-8-24(2)9-11-25/h4-7H,3,8-12H2,1-2H3,(H3,19,20,21,22,23)