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

Systemtic Name: 6-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-[(4-pyrazin-2-ylpiperazino)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=CN=C5

Isomeric SMILES

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

InChI

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