2-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethanoic acid

Systemtic Name: 2-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethanoic acid Openeye Name: 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetic acid CAS Name: 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetic acid IUPAC Name: 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetic acid Traditional Name: 2-(4-keto-8-methyl-5H-pyrimid[5,4-b]indol-3-yl)acetic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC(=O)O

InChI

InChI=1S/C13H11N3O3/c1-7-2-3-9-8(4-7)11-12(15-9)13(19)16(6-14-11)5-10(17)18/h2-4,6,15H,5H2,1H3,(H,17,18)