(3S,5R)-1-[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-[[(1R,4R,5S)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methylamino]-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-[[(1R,4R,5S)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine Openeye Name: (3S,5R)-1-[4-[(3S,5R)-3,5-diamino-1-piperidyl]-6-[[(1S,2R,5R)-6,6-dimethylnorpinan-2-yl]methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine CAS Name: (3S,5R)-1-[4-[(3S,5R)-3,5-diamino-1-piperidinyl]-6-[[(1R,4R,5S)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine IUPAC Name: (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[[(1R,4R,5S)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine Traditional Name: [4,6-bis[(3S,5R)-3,5-diaminopiperidino]-s-triazin-2-yl]-[[(1S,2R,5R)-6,6-dimethylnorpinan-2-yl]methyl]amine Formula: C23H42N10 MolecularWeight: 458.64658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1C2)CNC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)C

Isomeric SMILES

CC1([C@@H]2CC[C@H]([C@@H]1C2)CNC3=NC(=NC(=N3)N4C[C@@H](C[C@@H](C4)N)N)N5C[C@@H](C[C@@H](C5)N)N)C

InChI

InChI=1S/C23H42N10/c1-23(2)14-4-3-13(19(23)5-14)8-28-20-29-21(32-9-15(24)6-16(25)10-32)31-22(30-20)33-11-17(26)7-18(27)12-33/h13-19H,3-12,24-27H2,1-2H3,(H,28,29,30,31)/t13-,14+,15-,16+,17-,18+,19-/m0/s1