3-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]pentane-2,4-dione Openeye Name: 3-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]pentane-2,4-dione CAS Name: 3-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]pentane-2,4-dione IUPAC Name: 3-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]pentane-2,4-dione Traditional Name: 3-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]pentane-2,4-dione Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC(C(=O)C)C(=O)C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC(C(=O)C)C(=O)C

InChI

InChI=1S/C17H17N3O3S/c1-4-20-16(23)14-13(11-7-5-6-8-12(11)18-14)19-17(20)24-15(9(2)21)10(3)22/h5-8,15,18H,4H2,1-3H3