H5V

7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Created:	2018-06-11
Last modified:	2019-06-12

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2 entries where H5V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	4
Bond Count	38
Aromatic Bond Count	10

2D diagram of H5V

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Chemical Component Summary
Name	7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{R},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol
Formula	C₁₂ H₁₆ N₄ O₄
Molecular Weight	280.28
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1C(C(OC1CO)n3c2c(c(ncn2)N)cc3)(C)O
SMILES	CACTVS	3.385	C[C]1(O)[CH](O)[CH](CO)O[CH]1n2ccc3c(N)ncnc23
SMILES	OpenEye OEToolkits	2.0.6	CC1(C(C(OC1n2ccc3c2ncnc3N)CO)O)O
Canonical SMILES	CACTVS	3.385	C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n2ccc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O
InChI	InChI	1.03	InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t7-,8-,11-,12-/m1/s1
InChIKey	InChI	1.03	IRZRJANZDIOOIF-GAJNKVMBSA-N

Related Resource References

Resource Name	Reference
PubChem	3011893
ChEMBL	CHEMBL236207

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