1,3-dimethyl-7-[2-oxidanylidene-2-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3-dimethyl-xanthine Formula: C23H26N6O5 MolecularWeight: 466.48974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CC(OC4=CC=CC=C43)C(=O)N5CCCCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C[C@H](OC4=CC=CC=C43)C(=O)N5CCCCC5

InChI

InChI=1S/C23H26N6O5/c1-25-20-19(22(32)26(2)23(25)33)28(14-24-20)13-18(30)29-12-17(21(31)27-10-6-3-7-11-27)34-16-9-5-4-8-15(16)29/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3/t17-/m0/s1