4S2

5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one


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Chemical Component Summary

Name5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one
Identifiers5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-4-[[(1R,2S,3R,4R)-4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]amino]-1H-pyrimidin-6-one
FormulaC20 H23 N5 O4 S
Molecular Weight429.493
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO
InChIInChI=1S/C20H23N5O4S/c26-8-9-7-12(16(28)15(9)27)22-17-14(18(29)25-20(24-17)21-10-5-6-10)19-23-11-3-1-2-4-13(11)30-19/h1-4,9-10,12,15-16,26-28H,5-8H2,(H3,21,22,24,25,29)/t9-,12-,15-,16+/m1/s1
InChIKeyFXWUDZUPMZEZQL-NRXFTUCASA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count4
Bond Count57
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL3622183
PubChem 135567024
ChEMBL CHEMBL3622183