tert-butyl 3-[(4Z)-2-azanyl-4-(2-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4Z)-2-azanyl-4-(2-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4Z)-2-amino-4-(2-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4Z)-2-amino-4-(2-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4Z)-2-amino-4-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4Z)-2-amino-4-(2-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C(=O)C=CC=C3O)N=C(N2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C\3/C(=O)C=CC=C3O)/N=C(N2)N

InChI

InChI=1S/C20H26N4O4/c1-20(2,3)28-19(27)24-9-5-6-12(11-24)13-10-14(23-18(21)22-13)17-15(25)7-4-8-16(17)26/h4,7-8,10,12,25H,5-6,9,11H2,1-3H3,(H3,21,22,23)/b17-14-