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

Systemtic Name: tert-butyl (3S)-3-[6-bromanyl-4-methyl-7-oxidanylidene-2-(propan-2-ylamino)pteridin-8-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[6-bromo-2-(isopropylamino)-4-methyl-7-oxo-pteridin-8-yl]piperidine-1-carboxylate CAS Name: (3S)-3-[6-bromo-4-methyl-7-oxo-2-(propan-2-ylamino)-8-pteridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[6-bromo-4-methyl-7-oxo-2-(propan-2-ylamino)pteridin-8-yl]piperidine-1-carboxylate Traditional Name: (3S)-3-[6-bromo-2-(isopropylamino)-7-keto-4-methyl-pteridin-8-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29BrN6O3 MolecularWeight: 481.38666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NC(C)C)N(C(=O)C(=N2)Br)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=NC(=N1)NC(C)C)N(C(=O)C(=N2)Br)[C@H]3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29BrN6O3/c1-11(2)22-18-23-12(3)14-16(25-18)27(17(28)15(21)24-14)13-8-7-9-26(10-13)19(29)30-20(4,5)6/h11,13H,7-10H2,1-6H3,(H,22,23,25)/t13-/m0/s1