ISDA: 6N55

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: UZ0

IUPAC Name: 2'-azido-2'-deoxyuridine

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: O=c1ccn([C@H]2CCCO2)c(=O)[nH]1

InChI: InChI=1S/C8H10N2O3/c11-6-3-4-10(8(12)9-6)7-2-1-5-13-7/h3-4,7H,1-2,5H2,(H,9,11,12)/t7-/m1/s1

InChI Key: CWWIKVUHBBTKHC-SSDOTTSWSA-N

Physiochemical Descriptor:

Formula: C9 H11 N5 O5

Molecular weight: 269.214

Hydrogen Bond Acceptor: 7

Hydrogen Bond Donor: 3

Rotatable Bonds: 5

Heavy Atoms: 19

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	2'-azido-2'-deoxyuridine
OpenEye OEToolkits	2.0.7	1-[(2~{R},3~{R},4~{S},5~{R})-3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO
InChI	InChI	1.03	InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	MRUKYOQQKHNMFI-XVFCMESISA-N
SMILES_CANONICAL	CACTVS	3.385	OC[C@H]1O[C@H]([C@H](N=[N+]=[N-])[C@@H]1O)N2C=CC(=O)NC2=O
SMILES	CACTVS	3.385	OC[CH]1O[CH]([CH](N=[N+]=[N-])[CH]1O)N2C=CC(=O)NC2=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]
SMILES	OpenEye OEToolkits	2.0.7	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]

Chemical Database Mapping