tert-butyl 4-[4-[(8-cyclopentyl-7-oxidanylidene-pteridin-2-yl)amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(8-cyclopentyl-7-oxidanylidene-pteridin-2-yl)amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(8-cyclopentyl-7-oxo-pteridin-2-yl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(8-cyclopentyl-7-oxo-2-pteridinyl)amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(8-cyclopentyl-7-oxopteridin-2-yl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(8-cyclopentyl-7-keto-pteridin-2-yl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H33N7O3 MolecularWeight: 491.58532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=N4)C5CCCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=N4)C5CCCC5

InChI

InChI=1S/C26H33N7O3/c1-26(2,3)36-25(35)32-14-12-31(13-15-32)19-10-8-18(9-11-19)29-24-28-16-21-23(30-24)33(22(34)17-27-21)20-6-4-5-7-20/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,28,29,30)