4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(6-methylpyridin-1-ium-2-yl)piperazino]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C22H22N5S+ MolecularWeight: 388.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5S/c1-16-6-5-9-19(25-16)26-10-12-27(13-11-26)21-20-18(17-7-3-2-4-8-17)14-28-22(20)24-15-23-21/h2-9,14-15H,10-13H2,1H3/p+1