2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(7-ethyl-1H-indol-3-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(7-ethyl-1H-indol-3-yl)ethanone Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H17N5OS/c1-2-9-4-3-5-10-11(7-19-15(9)10)12(22)8-23-16-20-13(17)6-14(18)21-16/h3-7,19H,2,8H2,1H3,(H4,17,18,20,21)