2-(3-methylbutylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-isopentylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(3-methylbutylthio)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-(isoamylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

InChI

InChI=1S/C18H21N3OS/c1-4-10-21-17(22)16-15(13-7-5-6-8-14(13)19-16)20-18(21)23-11-9-12(2)3/h4-8,12,19H,1,9-11H2,2-3H3