3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl]propanoic acid

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl]propanoic acid Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl]propanoic acid CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl]propanoic acid IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl]propanoic acid Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4-keto-8-methoxy-5H-pyrimid[5,4-b]indol-3-yl]propionic acid Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=C(N(C3=O)CCC(=O)O)SCC(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=C(N(C3=O)CCC(=O)O)SCC(=O)N

InChI

InChI=1S/C16H16N4O5S/c1-25-8-2-3-10-9(6-8)13-14(18-10)15(24)20(5-4-12(22)23)16(19-13)26-7-11(17)21/h2-3,6,18H,4-5,7H2,1H3,(H2,17,21)(H,22,23)