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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3C=CC=CC=N3)N(C(=O)N(C2=O)CC#C)C

Isomeric SMILES

CN1C2=C(N=C1N3C=CC=CC=N3)N(C(=O)N(C2=O)CC#C)C

InChI

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