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

Systemtic Name: 1-[4-[3,5-bis(azanyl)piperidin-1-yl]-6-[(2-bromophenyl)methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine Openeye Name: 1-[4-[(2-bromophenyl)methylamino]-6-(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine CAS Name: 1-[4-[(2-bromophenyl)methylamino]-6-(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine IUPAC Name: 1-[4-[(2-bromophenyl)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-bromobenzyl)amine Formula: C20H31BrN10 MolecularWeight: 491.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NCC3=CC=CC=C3Br)N4CC(CC(C4)N)N)N

Isomeric SMILES

C1C(CN(CC1N)C2=NC(=NC(=N2)NCC3=CC=CC=C3Br)N4CC(CC(C4)N)N)N

InChI

InChI=1S/C20H31BrN10/c21-17-4-2-1-3-12(17)7-26-18-27-19(30-8-13(22)5-14(23)9-30)29-20(28-18)31-10-15(24)6-16(25)11-31/h1-4,13-16H,5-11,22-25H2,(H,26,27,28,29)