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

Systemtic Name: tert-butyl 3-[(4E)-2-azanyl-4-(2-oxidanyl-6-oxidanylidene-3-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4E)-4-(3-allyl-2-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-amino-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4E)-2-amino-4-(2-hydroxy-6-oxo-3-prop-2-enyl-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4E)-2-amino-4-(2-hydroxy-6-oxo-3-prop-2-enylcyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4E)-4-(3-allyl-2-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-2-amino-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-5-7-14-9-10-18(28)19(20(14)29)17-12-16(25-21(24)26-17)15-8-6-11-27(13-15)22(30)31-23(2,3)4/h5,9-10,12,15,29H,1,6-8,11,13H2,2-4H3,(H3,24,25,26)/b19-17-