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

Systemtic Name: tert-butyl (3S)-3-[2-(ethylamino)-4-methyl-7-oxidanylidene-pteridin-8-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[2-(ethylamino)-4-methyl-7-oxo-pteridin-8-yl]piperidine-1-carboxylate CAS Name: (3S)-3-[2-(ethylamino)-4-methyl-7-oxo-8-pteridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[2-(ethylamino)-4-methyl-7-oxopteridin-8-yl]piperidine-1-carboxylate Traditional Name: (3S)-3-[2-(ethylamino)-7-keto-4-methyl-pteridin-8-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O3/c1-6-20-17-22-12(2)15-16(23-17)25(14(26)10-21-15)13-8-7-9-24(11-13)18(27)28-19(3,4)5/h10,13H,6-9,11H2,1-5H3,(H,20,22,23)/t13-/m0/s1