2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethylazanium

Systemtic Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethylazanium Openeye Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethylammonium CAS Name: 2-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]ethylammonium IUPAC Name: 2-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]ethylazanium Traditional Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethylammonium Formula: C16H18BrN4S+ MolecularWeight: 378.30992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NCC[NH3+])C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NCC[NH3+])C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN4S/c1-2-12-13(10-3-5-11(17)6-4-10)14-15(19-8-7-18)20-9-21-16(14)22-12/h3-6,9H,2,7-8,18H2,1H3,(H,19,20,21)/p+1