N-[(2S)-butan-2-yl]-6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide

Systemtic Name: N-[(2S)-butan-2-yl]-6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Openeye Name: 6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(1S)-1-methylpropyl]hexanamide CAS Name: N-[(2S)-butan-2-yl]-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide IUPAC Name: N-[(2S)-butan-2-yl]-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Traditional Name: 6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-[(1S)-1-methylpropyl]hexanamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CC[C@H](C)NC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C21H28N4O3S/c1-4-13(2)22-17(26)8-6-5-7-11-25-20(27)19-18(24-21(25)29)15-12-14(28-3)9-10-16(15)23-19/h9-10,12-13,23H,4-8,11H2,1-3H3,(H,22,26)(H,24,29)/t13-/m0/s1