[4-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]piperazino]-phenyl-methanone Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N7O/c1-16(19-25-21(23)27-22(26-19)24-18-10-6-3-7-11-18)28-12-14-29(15-13-28)20(30)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H3,23,24,25,26,27)