N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[4-(4-ethyl-1-piperazin-1-iumyl)phenyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [4-(4-ethylpiperazin-1-ium-1-yl)phenyl]-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=C4C=CSC4=NC=N3

Isomeric SMILES

CCN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H21N5S/c1-2-22-8-10-23(11-9-22)15-5-3-14(4-6-15)21-17-16-7-12-24-18(16)20-13-19-17/h3-7,12-13H,2,8-11H2,1H3,(H,19,20,21)/p+1