7-phenacyl-8-piperazin-1-yl-3H-purine-2,6-dione

Systemtic Name: 7-phenacyl-8-piperazin-1-yl-3H-purine-2,6-dione Openeye Name: 7-phenacyl-8-piperazin-1-yl-3H-purine-2,6-dione CAS Name: 7-phenacyl-8-(1-piperazinyl)-3H-purine-2,6-dione IUPAC Name: 7-phenacyl-8-piperazin-1-yl-3H-purine-2,6-dione Traditional Name: 7-phenacyl-8-piperazino-xanthine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3

InChI

InChI=1S/C17H18N6O3/c24-12(11-4-2-1-3-5-11)10-23-13-14(19-16(26)21-15(13)25)20-17(23)22-8-6-18-7-9-22/h1-5,18H,6-10H2,(H2,19,21,25,26)