2-[(3-azanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(3-azanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(3-amino-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-amino-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(3-amino-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(3-amino-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-2-phenyl-acetic acid Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(C(=O)N2N)NC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(C(=O)N2N)NC4=CC=CC=C43

InChI

InChI=1S/C18H14N4O3S/c19-22-16(23)14-13(11-8-4-5-9-12(11)20-14)21-18(22)26-15(17(24)25)10-6-2-1-3-7-10/h1-9,15,20H,19H2,(H,24,25)