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

Systemtic Name: (E)-3-phenyl-1-[4-(7H-purin-6-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-(7H-purin-6-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[4-(7H-purin-6-yl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-(7H-purin-6-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-(7H-purin-6-yl)piperazino]prop-2-en-1-one Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O/c25-15(7-6-14-4-2-1-3-5-14)23-8-10-24(11-9-23)18-16-17(20-12-19-16)21-13-22-18/h1-7,12-13H,8-11H2,(H,19,20,21,22)/b7-6+