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

Systemtic Name: 1,3-dimethyl-7-[4-oxidanylidene-4-[(2R)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-oxo-4-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-oxo-4-[(2R)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-oxo-4-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butyl]-1,3-dimethyl-xanthine Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O5/c1-27-22-21(24(34)28(2)25(27)35)30(16-26-22)14-8-11-20(32)31-15-19(23(33)29-12-6-3-7-13-29)36-18-10-5-4-9-17(18)31/h4-5,9-10,16,19H,3,6-8,11-15H2,1-2H3/t19-/m1/s1