1,3-diethyl-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-diethyl-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-diethyl-8-[6-[[2-oxo-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-[[2-oxo-2-(3-pyridinyl)ethyl]amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[6-[[2-keto-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=CN=CC=C4

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H23N7O3/c1-3-27-19-17(20(30)28(4-2)21(27)31)25-18(26-19)14-7-8-16(23-11-14)24-12-15(29)13-6-5-9-22-10-13/h5-11,17,19H,3-4,12H2,1-2H3,(H,23,24)(H,25,26)