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

Systemtic Name: 8-[6-[(2-oxidanylidene-2-pyridin-3-yl-ethyl)amino]pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-[[2-oxo-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-[[2-oxo-2-(3-pyridinyl)ethyl]amino]-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-[[2-keto-2-(3-pyridyl)ethyl]amino]-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=CN=CC=C4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H27N7O3/c1-3-10-29-21-19(22(32)30(11-4-2)23(29)33)27-20(28-21)16-7-8-18(25-13-16)26-14-17(31)15-6-5-9-24-12-15/h5-9,12-13,19,21H,3-4,10-11,14H2,1-2H3,(H,25,26)(H,27,28)