4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C20H24N4S/c1-15(2)17-5-3-16(4-6-17)13-23-8-10-24(11-9-23)19-18-7-12-25-20(18)22-14-21-19/h3-7,12,14-15H,8-11,13H2,1-2H3/p+1