tert-butyl 3-[3-azanylidene-5-(2-methylpropyl)-4,6-bis(oxidanyl)pyrazin-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[3-azanylidene-5-(2-methylpropyl)-4,6-bis(oxidanyl)pyrazin-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-(4,6-dihydroxy-3-imino-5-isobutyl-pyrazin-2-yl)indole-1-carboxylate CAS Name: 3-[4,6-dihydroxy-3-imino-5-(2-methylpropyl)-2-pyrazinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4,6-dihydroxy-3-imino-5-(2-methylpropyl)pyrazin-2-yl]indole-1-carboxylate Traditional Name: 3-(4,6-dihydroxy-3-imino-5-isobutyl-pyrazin-2-yl)indole-1-carboxylic acid tert-butyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(C(=N)N1O)C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)CC1=C(N=C(C(=N)N1O)C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H26N4O4/c1-12(2)10-16-19(26)23-17(18(22)25(16)28)14-11-24(20(27)29-21(3,4)5)15-9-7-6-8-13(14)15/h6-9,11-12,22,26,28H,10H2,1-5H3