3,5-bis(azanyl)-N-[2-[[3-[2-[1-(3-bromanyl-5-tert-butyl-2-oxidanyl-phenyl)ethylamino]ethylamino]-3-oxidanylidene-propyl]-methyl-amino]ethyl]-6-chloranyl-pyrazine-2-carboxamide

Systemtic Name: 3,5-bis(azanyl)-N-[2-[[3-[2-[1-(3-bromanyl-5-tert-butyl-2-oxidanyl-phenyl)ethylamino]ethylamino]-3-oxidanylidene-propyl]-methyl-amino]ethyl]-6-chloranyl-pyrazine-2-carboxamide Openeye Name: 3,5-diamino-N-[2-[[3-[2-[1-(3-bromo-5-tert-butyl-2-hydroxy-phenyl)ethylamino]ethylamino]-3-oxo-propyl]-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[2-[[3-[2-[1-(3-bromo-5-tert-butyl-2-hydroxyphenyl)ethylamino]ethylamino]-3-oxopropyl]-methylamino]ethyl]-6-chloro-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-N-[2-[[3-[2-[1-(3-bromo-5-tert-butyl-2-hydroxyphenyl)ethylamino]ethylamino]-3-oxopropyl]-methylamino]ethyl]-6-chloropyrazine-2-carboxamide Traditional Name: 3,5-diamino-N-[2-[[3-[2-[1-(3-bromo-5-tert-butyl-2-hydroxy-phenyl)ethylamino]ethylamino]-3-keto-propyl]-methyl-amino]ethyl]-6-chloro-pyrazinamide Formula: C25H38BrClN8O3 MolecularWeight: 613.97802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC(=C1)C(C)(C)C)Br)O)NCCNC(=O)CCN(C)CCNC(=O)C2=C(N=C(C(=N2)Cl)N)N

Isomeric SMILES

CC(C1=C(C(=CC(=C1)C(C)(C)C)Br)O)NCCNC(=O)CCN(C)CCNC(=O)C2=C(N=C(C(=N2)Cl)N)N

InChI

InChI=1S/C25H38BrClN8O3/c1-14(16-12-15(25(2,3)4)13-17(26)20(16)37)30-7-8-31-18(36)6-10-35(5)11-9-32-24(38)19-22(28)34-23(29)21(27)33-19/h12-14,30,37H,6-11H2,1-5H3,(H,31,36)(H,32,38)(H4,28,29,34)