4-(4-cyclohexylpiperazine-1,4-diium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-cyclohexylpiperazine-1,4-diium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-cyclohexylpiperazine-1,4-diium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(4-cyclohexyl-1-piperazine-1,4-diiumyl)-6-ethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(4-cyclohexylpiperazine-1,4-diium-1-yl)-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-cyclohexylpiperazine-1,4-diium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine Formula: C18H28N4S+2 MolecularWeight: 332.50672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)[NH+]3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)[NH+]3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C18H26N4S/c1-2-15-12-16-17(19-13-20-18(16)23-15)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3/p+2