(Q76423165)

English

2-amino-4-methoxy-N-[(1R,5S)-8-[(2-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide

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Statements

type of chemical entity

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chemical compound

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412.185903248 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₄N₆O₄

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canonical SMILES

COc1nc(N)ncc1C(=O)NC1CC2CCC(C1)N2Cc1ccccc1[N+](=O)[O-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=NC(=NC=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC4=CC=CC=C4[N+](=O)[O-])N

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Identifiers

InChI=1S/C20H24N6O4/c1-30-19-16(10-22-20(21)24-19)18(27)23-13-8-14-6-7-15(9-13)25(14)11-12-4-2-3-5-17(12)26(28)29/h2-5,10,13-15H,6-9,11H2,1H3,(H,23,27)(H2,21,22,24)/t13?,14-,15+

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PGXGYZNLORBGMQ-GOOCMWNKSA-N

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UniChem compound ID

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