2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H19FN4OS/c22-15-8-9-17-16(11-15)19-20(26-17)21(25-13-24-19)28-12-18(27)23-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,26H,4,7,10,12H2,(H,23,27)