(1S,3S,4R)-Entecavir[(1S,3S,4R)-恩替卡韦]

CAS:1367369-79-6

SKU: NCC.1367369.79.6 分类:
保证安全结账

CAS Registry Number®

1367369-79-6

CAS Name

2-Amino-1,9-dihydro-9-[(1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one

Molecular Formula

C12H15N5O3

Molecular Mass

277.28

Other Names and Identifiers

InChI

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8-/m1/s1

InChIKey

InChIKey=QDGZDCVAUDNJFG-GJMOJQLCSA-N

SMILES

C=C1[C@@H](N2C3=C(N=C2)C(=O)N=C(N)N3)C[C@@H](O)[C@@H]1CO

Canonical SMILES

O=C1N=C(N)NC2=C1N=CN2C3C(=C)C(CO)C(O)C3

Other Names for this Substance

  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-
  • 2-Amino-1,9-dihydro-9-[(1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one
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