5-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(p-tolyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-methylphenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(p-tolyl)-4-[4-(2-pyrimidyl)piperazino]thieno[2,3-d]pyrimidine Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H20N6S/c1-15-3-5-16(6-4-15)17-13-28-20-18(17)19(24-14-25-20)26-9-11-27(12-10-26)21-22-7-2-8-23-21/h2-8,13-14H,9-12H2,1H3