Summary

IMPPAT Phytochemical identifier: IMPHY005276

Phytochemical name: 2-Deoxyribofuranosylguanine-beta-d-form

Synonymous chemical names:
2-deoxyribofuranosylguanine-beta-d-form

External chemical identifiers:
CID:187790

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(N)nc2=O

InChI:
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1

InChIKey:
YKBGVTZYEHREMT-KVQBGUIXSA-N

DeepSMILES:
OC[C@H]O[C@H]C[C@@H]5O)))ncncc5[nH]cN)nc6=O

Functional groups:
CO, COC, c=O, cN, c[nH]c, cn(c)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nc[nH]c2c1ncn2C1CCCO1

Scaffold Graph/Node level:
OC1NCNC2C1NCN2C1CCCO1

Scaffold Graph level:
CC1CCCC2C1CCC2C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Nucleosides, nucleotides, and analogues

ClassyFire Class: Purine nucleosides

ClassyFire Subclass: Purine 2'-deoxyribonucleosides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Nucleosides

NP Classifier Class: Purine nucleos(t)ides

NP-Likeness score: 0.9

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Chemical structure download