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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2C)CC#CN3C=CC=CC=N3

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2C)CC#CN3C=CC=CC=N3

InChI

InChI=1S/C15H14N6O2/c1-19-11(7-6-10-21-9-5-3-4-8-16-21)17-13-12(19)14(22)18-15(23)20(13)2/h3-5,8-9H,7H2,1-2H3,(H,18,22,23)