ethyl (3S)-1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)nipecotic acid ethyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H27N5O4/c1-6-27-16(25)12-8-7-9-22(10-12)17-19-14-13(23(17)11(2)3)15(24)21(5)18(26)20(14)4/h11-12H,6-10H2,1-5H3/t12-/m0/s1