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

Systemtic Name: tert-butyl 3-[(4E)-2-azanyl-4-(6-oxidanylidene-2-prop-2-enoxy-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4E)-4-(2-allyloxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-amino-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4E)-2-amino-4-(6-oxo-2-prop-2-enoxy-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4E)-2-amino-4-(6-oxo-2-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4E)-4-(2-allyloxy-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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C(=O)C=CC=C3OCC=C)N=C(N2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C/3\C(=O)C=CC=C3OCC=C)/N=C(N2)N

InChI

InChI=1S/C23H30N4O4/c1-5-12-30-19-10-6-9-18(28)20(19)17-13-16(25-21(24)26-17)15-8-7-11-27(14-15)22(29)31-23(2,3)4/h5-6,9-10,13,15H,1,7-8,11-12,14H2,2-4H3,(H3,24,25,26)/b20-17-