2-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]hexanoic acid IUPAC Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]hexanoic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

InChI

InChI=1S/C19H23N3O4S/c1-3-4-9-14(18(24)25)27-19-21-15-12-7-5-6-8-13(12)20-16(15)17(23)22(19)10-11-26-2/h5-8,14,20H,3-4,9-11H2,1-2H3,(H,24,25)