1-[4-[3,5-bis(azanyl)piperidin-1-yl]-6-[(2-chloranyl-6-methyl-phenyl)methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine

Systemtic Name: 1-[4-[3,5-bis(azanyl)piperidin-1-yl]-6-[(2-chloranyl-6-methyl-phenyl)methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine Openeye Name: 1-[4-[(2-chloro-6-methyl-phenyl)methylamino]-6-(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine CAS Name: 1-[4-[(2-chloro-6-methylphenyl)methylamino]-6-(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine IUPAC Name: 1-[4-[(2-chloro-6-methylphenyl)methylamino]-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine Traditional Name: [4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]-(2-chloro-6-methyl-benzyl)amine Formula: C21H33ClN10 MolecularWeight: 461.00672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)CNC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CNC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N

InChI

InChI=1S/C21H33ClN10/c1-12-3-2-4-18(22)17(12)7-27-19-28-20(31-8-13(23)5-14(24)9-31)30-21(29-19)32-10-15(25)6-16(26)11-32/h2-4,13-16H,5-11,23-26H2,1H3,(H,27,28,29,30)