3-ethyl-8-[6-(methylamino)pyridin-3-yl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 3-ethyl-8-[6-(methylamino)pyridin-3-yl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 3-ethyl-8-[6-(methylamino)-3-pyridyl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 3-ethyl-8-[6-(methylamino)-3-pyridinyl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 3-ethyl-8-[6-(methylamino)pyridin-3-yl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 3-ethyl-8-[6-(methylamino)-3-pyridyl]-1-propargyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN=C(C=C3)NC

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN=C(C=C3)NC

InChI

InChI=1S/C16H18N6O2/c1-4-8-22-15(23)12-14(21(5-2)16(22)24)20-13(19-12)10-6-7-11(17-3)18-9-10/h1,6-7,9,12,14H,5,8H2,2-3H3,(H,17,18)(H,19,20)