tert-butyl (3S)-3-[6-bromanyl-2-(ethylamino)-4-methyl-7-oxidanylidene-pteridin-8-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[6-bromanyl-2-(ethylamino)-4-methyl-7-oxidanylidene-pteridin-8-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[6-bromo-2-(ethylamino)-4-methyl-7-oxo-pteridin-8-yl]piperidine-1-carboxylate CAS Name: (3S)-3-[6-bromo-2-(ethylamino)-4-methyl-7-oxo-8-pteridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[6-bromo-2-(ethylamino)-4-methyl-7-oxopteridin-8-yl]piperidine-1-carboxylate Traditional Name: (3S)-3-[6-bromo-2-(ethylamino)-7-keto-4-methyl-pteridin-8-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H27BrN6O3 MolecularWeight: 467.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C2C(=N1)N(C(=O)C(=N2)Br)C3CCCN(C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCNC1=NC(=C2C(=N1)N(C(=O)C(=N2)Br)[C@H]3CCCN(C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H27BrN6O3/c1-6-21-17-22-11(2)13-15(24-17)26(16(27)14(20)23-13)12-8-7-9-25(10-12)18(28)29-19(3,4)5/h12H,6-10H2,1-5H3,(H,21,22,24)/t12-/m0/s1