78H

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Summary

Name:7,8-DIHYDROPTEROATE
Formula:C14 H14 N6 O3
Formal charge:0
Molecular weight:314.299 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid
OpenEye OEToolkits1.7.04-[(2-azanyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc(cc1)NCC2=NC=3C(=O)NC(=NC=3NC2)N
SMILES_CANONICALCACTVS3.370NC1=NC2=C(N=C(CNc3ccc(cc3)C(O)=O)CN2)C(=O)N1
SMILESCACTVS3.370NC1=NC2=C(N=C(CNc3ccc(cc3)C(O)=O)CN2)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N
InChIInChI1.03InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)
InChIKeyInChI1.03WBFYVDCHGVNRBH-UHFFFAOYSA-N