3-(phenylmethyl)-1-prop-2-ynyl-7H-purine-2,6-dione

Systemtic Name: 3-(phenylmethyl)-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 3-benzyl-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 3-(phenylmethyl)-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 3-benzyl-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 3-benzyl-1-propargyl-7H-purine-2,6-quinone Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(N=CN2)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=O)C2=C(N=CN2)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H12N4O2/c1-2-8-18-14(20)12-13(17-10-16-12)19(15(18)21)9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,16,17)