6-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5=NC=CC=N5

InChI

InChI=1S/C21H20N6OS/c28-19-16-13-17(15-5-2-1-3-6-15)29-20(16)25-18(24-19)14-26-9-11-27(12-10-26)21-22-7-4-8-23-21/h1-8,13H,9-12,14H2,(H,24,25,28)