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Название: (S)-2-(1-(4-bromophenyl)ethylamino)-9-cyclopentyl-5,7,7-trimethyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one

IUPAC: 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one

SMILES: C[C@H](Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C)c1ccc(Br)cc1

Canonical SMILES: CC(C1=CC=C(C=C1)Br)NC2=NC=C3C(=N2)N(CC(C(=O)N3C)(C)C)C4CCCC4

Молекулярная формула: C23H30BrN5O

Молекулярная масса: 472.40

InChIKey: WKSXRKWGILECIL-HNNXBMFYSA-N

InChI: InChI=1S/C23H30BrN5O/c1-15(16-9-11-17(24)12-10-16)26-22-25-13-19-20(27-22)29(18-7-5-6-8-18)14-23(2,3)21(30)28(19)4/h9-13,15,18H,5-8,14H2,1-4H3,(H,25,26,27)/t15-/m0/s1

PubChem CID: 44612767 →

Синонимы

SCHEMBL522608WKSXRKWGILECIL-HNNXBMFYSA-N(S)-2-(1-(4-Bromophenyl)ethylamino)-9-cyclopentyl-5,7,7-trimethyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one

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