6-methyl-4-piperazin-4-ium-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 6-methyl-4-piperazin-4-ium-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine Openeye Name: 6-methyl-4-piperazin-4-ium-1-yl-5-tetralin-6-yl-thieno[2,3-d]pyrimidine CAS Name: 6-methyl-4-(1-piperazin-4-iumyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine IUPAC Name: 6-methyl-4-piperazin-4-ium-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine Traditional Name: 6-methyl-4-piperazin-4-ium-1-yl-5-tetralin-6-yl-thieno[2,3-d]pyrimidine Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC5=C(CCCC5)C=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC5=C(CCCC5)C=C4

InChI

InChI=1S/C21H24N4S/c1-14-18(17-7-6-15-4-2-3-5-16(15)12-17)19-20(23-13-24-21(19)26-14)25-10-8-22-9-11-25/h6-7,12-13,22H,2-5,8-11H2,1H3/p+1