tert-butyl 3-[(4E)-2-azanyl-4-(6-oxidanylidene-2-phenylmethoxy-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-phenylmethoxy-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4E)-2-amino-4-(2-benzyloxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4E)-2-amino-4-(6-oxo-2-phenylmethoxy-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-phenylmethoxycyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4E)-2-amino-4-(2-benzoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C(=O)C=CC=C3OCC4=CC=CC=C4)N=C(N2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4=CC=CC=C4)/N=C(N2)N

InChI

InChI=1S/C27H32N4O4/c1-27(2,3)35-26(33)31-14-8-11-19(16-31)20-15-21(30-25(28)29-20)24-22(32)12-7-13-23(24)34-17-18-9-5-4-6-10-18/h4-7,9-10,12-13,15,19H,8,11,14,16-17H2,1-3H3,(H3,28,29,30)/b24-21-