5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)pentanamide

Systemtic Name: 5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)pentanamide Openeye Name: 5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)pentanamide CAS Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]pentanamide IUPAC Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)pentanamide Traditional Name: 5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)valeramide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H29N5O4S/c1-30-15-5-6-17-16(14-15)19-20(24-17)21(29)27(22(32)25-19)8-3-2-4-18(28)23-7-9-26-10-12-31-13-11-26/h5-6,14,24H,2-4,7-13H2,1H3,(H,23,28)(H,25,32)/p+1