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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CC(OC4=CC=CC=C43)C(=O)N5CCCCC5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3C[C@H](OC4=CC=CC=C43)C(=O)N5CCCCC5

InChI

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