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

Systemtic Name: 1,3-dimethyl-8-[6-[(2-oxidanylidene-2-pyridin-3-yl-ethyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[6-[[2-oxo-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[6-[[2-oxo-2-(3-pyridinyl)ethyl]amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-[[2-keto-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-1,3-dimethyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C19H19N7O3 MolecularWeight: 393.39926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O3/c1-25-17-15(18(28)26(2)19(25)29)23-16(24-17)12-5-6-14(21-9-12)22-10-13(27)11-4-3-7-20-8-11/h3-9,15,17H,10H2,1-2H3,(H,21,22)(H,23,24)