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

Systemtic Name: tert-butyl (3S)-3-[4-methyl-7-oxidanylidene-2-(propan-2-ylamino)pteridin-8-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[2-(isopropylamino)-4-methyl-7-oxo-pteridin-8-yl]piperidine-1-carboxylate CAS Name: (3S)-3-[4-methyl-7-oxo-2-(propan-2-ylamino)-8-pteridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-methyl-7-oxo-2-(propan-2-ylamino)pteridin-8-yl]piperidine-1-carboxylate Traditional Name: (3S)-3-[2-(isopropylamino)-7-keto-4-methyl-pteridin-8-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O3/c1-12(2)22-18-23-13(3)16-17(24-18)26(15(27)10-21-16)14-8-7-9-25(11-14)19(28)29-20(4,5)6/h10,12,14H,7-9,11H2,1-6H3,(H,22,23,24)/t14-/m0/s1