Catalog Number:
AG00038F
Chemical Name:
Benzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-, sodium salt (1:1)
CAS Number:
100929-45-1
Molecular Formula:
C14H12N7NaO2
Molecular Weight:
333.2805
IUPAC Name:
sodium;4-[(2,4-diaminopteridin-6-yl)methylamino]benzoate
InChI:
InChI=1S/C14H13N7O2.Na/c15-11-10-12(21-14(16)20-11)18-6-9(19-10)5-17-8-3-1-7(2-4-8)13(22)23;/h1-4,6,17H,5H2,(H,22,23)(H4,15,16,18,20,21);/q;+1/p-1
InChI Key:
NDXULQWYAMJQGC-UHFFFAOYSA-M
SMILES:
Nc1nc(N)c2c(n1)ncc(n2)CNc1ccc(cc1)C(=O)[O-].[Na+]
