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

Systemtic Name: 3-methyl-8-[6-[(2-oxidanylidene-2-pyridin-3-yl-ethyl)amino]pyridin-3-yl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 3-methyl-8-[6-[[2-oxo-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 3-methyl-8-[6-[[2-oxo-2-(3-pyridinyl)ethyl]amino]-3-pyridinyl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 3-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]pyridin-3-yl]-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-[[2-keto-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-3-methyl-1-propargyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=CN=CC=C4

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H19N7O3/c1-3-9-28-20(30)17-19(27(2)21(28)31)26-18(25-17)14-6-7-16(23-11-14)24-12-15(29)13-5-4-8-22-10-13/h1,4-8,10-11,17,19H,9,12H2,2H3,(H,23,24)(H,25,26)