8-(1,2-diazepin-1-yl)-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-(1,2-diazepin-1-yl)-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-(diazepin-1-yl)-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 8-(1-diazepinyl)-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-(diazepin-1-yl)-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 8-(diazepin-1-yl)-1,3-dimethyl-7-propargyl-xanthine Formula: C15H14N6O2 MolecularWeight: 310.31066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CC=CC=N3)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CC=CC=N3)CC#C

InChI

InChI=1S/C15H14N6O2/c1-4-9-20-11-12(18(2)15(23)19(3)13(11)22)17-14(20)21-10-7-5-6-8-16-21/h1,5-8,10H,9H2,2-3H3