(3S,5R)-1-[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-(5-bromanylindol-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

Systemtic Name: (3S,5R)-1-[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-(5-bromanylindol-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine Openeye Name: (3S,5R)-1-[4-(5-bromoindol-1-yl)-6-[(3S,5R)-3,5-diamino-1-piperidyl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine CAS Name: (3S,5R)-1-[4-(5-bromo-1-indolyl)-6-[(3S,5R)-3,5-diamino-1-piperidinyl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine IUPAC Name: (3S,5R)-1-[4-(5-bromoindol-1-yl)-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine Traditional Name: [(3S,5R)-5-amino-1-[4-(5-bromoindol-1-yl)-6-[(3S,5R)-3,5-diaminopiperidino]-s-triazin-2-yl]-3-piperidyl]amine Formula: C21H29BrN10 MolecularWeight: 501.42596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)N3C=CC4=C3C=CC(=C4)Br)N5CC(CC(C5)N)N)N

Isomeric SMILES

C1[C@H](CN(C[C@H]1N)C2=NC(=NC(=N2)N3C=CC4=C3C=CC(=C4)Br)N5C[C@@H](C[C@@H](C5)N)N)N

InChI

InChI=1S/C21H29BrN10/c22-13-1-2-18-12(5-13)3-4-32(18)21-28-19(30-8-14(23)6-15(24)9-30)27-20(29-21)31-10-16(25)7-17(26)11-31/h1-5,14-17H,6-11,23-26H2/t14-,15+,16-,17+