(E)-1-[4-(7H-purin-6-yl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(7H-purin-6-yl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(7H-purin-6-yl)piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(7H-purin-6-yl)-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-(7H-purin-6-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(7H-purin-6-yl)piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C16H16N6OS/c23-13(4-3-12-2-1-9-24-12)21-5-7-22(8-6-21)16-14-15(18-10-17-14)19-11-20-16/h1-4,9-11H,5-8H2,(H,17,18,19,20)/b4-3+