5-(4-chlorophenyl)-4-(4-prop-2-ynylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-chlorophenyl)-4-(4-prop-2-ynylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-chlorophenyl)-4-(4-prop-2-ynylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-chlorophenyl)-4-(4-prop-2-ynyl-1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-chlorophenyl)-4-(4-prop-2-ynylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-chlorophenyl)-4-(4-propargylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C19H18ClN4S+ MolecularWeight: 369.89102

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+]1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C#CC[NH+]1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN4S/c1-2-7-23-8-10-24(11-9-23)18-17-16(12-25-19(17)22-13-21-18)14-3-5-15(20)6-4-14/h1,3-6,12-13H,7-11H2/p+1