5-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-bromanyl-3-methoxy-phenoxy]pentanoic acid

Systemtic Name: 5-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-bromanyl-3-methoxy-phenoxy]pentanoic acid Openeye Name: 5-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenoxy]pentanoic acid CAS Name: 5-[2-bromo-5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-methoxyphenoxy]pentanoic acid IUPAC Name: 5-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxyphenoxy]pentanoic acid Traditional Name: 5-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenoxy]valeric acid Formula: C17H21BrN4O4 MolecularWeight: 425.27704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCC(=O)O)Br

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCC(=O)O)Br

InChI

InChI=1S/C17H21BrN4O4/c1-25-12-7-10(6-11-9-21-17(20)22-16(11)19)8-13(15(12)18)26-5-3-2-4-14(23)24/h7-9H,2-6H2,1H3,(H,23,24)(H4,19,20,21,22)