Catalog Number:
AG00IM91
Chemical Name:
6-Pteridinepropanoic acid, 2,4-diamino-α-[4-(methoxycarbonyl)phenyl]-α-2-propyn-1-yl-, methyl ester, hydrobromide
CAS Number:
1548618-47-8
Molecular Formula:
C21H21BrN6O4
Molecular Weight:
501.3332
MDL Number:
MFCD30537237
IUPAC Name:
methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate;hydrobromide
InChI:
InChI=1S/C21H20N6O4.BrH/c1-4-9-21(19(29)31-3,13-7-5-12(6-8-13)18(28)30-2)10-14-11-24-17-15(25-14)16(22)26-20(23)27-17;/h1,5-8,11H,9-10H2,2-3H3,(H4,22,23,24,26,27);1H
InChI Key:
UMJBJTHBHPNPAX-UHFFFAOYSA-N
SMILES:
C#CCC(c1ccc(cc1)C(=O)OC)(C(=O)OC)Cc1cnc2c(n1)c(N)nc(n2)N.Br
