tert-butyl N-[2-chloranyl-6-[(E)-2-phenylethenyl]pyrimidin-4-yl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[2-chloranyl-6-[(E)-2-phenylethenyl]pyrimidin-4-yl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[2-chloro-6-[(E)-styryl]pyrimidin-4-yl]carbamate CAS Name: N-[2-chloro-6-[(E)-2-phenylethenyl]-4-pyrimidinyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[2-chloro-6-[(E)-2-phenylethenyl]pyrimidin-4-yl]carbamate Traditional Name: N-benzyl-N-[2-chloro-6-[(E)-styryl]pyrimidin-4-yl]carbamic acid tert-butyl ester Formula: C24H24ClN3O2 MolecularWeight: 421.91926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2=NC(=NC(=C2)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2=NC(=NC(=C2)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C24H24ClN3O2/c1-24(2,3)30-23(29)28(17-19-12-8-5-9-13-19)21-16-20(26-22(25)27-21)15-14-18-10-6-4-7-11-18/h4-16H,17H2,1-3H3/b15-14+