5-[(E)-2-bromanylethenyl]-1-[2-oxidanylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-2-bromanylethenyl]-1-[2-oxidanylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione Openeye Name: 1-[4-benzyloxy-3-(benzyloxymethyl)-2-oxo-cyclopentyl]-5-[(E)-2-bromovinyl]pyrimidine-2,4-dione CAS Name: 5-[(E)-2-bromoethenyl]-1-[2-oxo-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[2-oxo-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione Traditional Name: 1-[4-benzoxy-3-(benzoxymethyl)-2-keto-cyclopentyl]-5-[(E)-2-bromovinyl]pyrimidine-2,4-quinone Formula: C26H25BrN2O5 MolecularWeight: 525.3911

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C1N2C=C(C(=O)NC2=O)C=CBr)COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(C(C(=O)C1N2C=C(C(=O)NC2=O)/C=C/Br)COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25BrN2O5/c27-12-11-20-14-29(26(32)28-25(20)31)22-13-23(34-16-19-9-5-2-6-10-19)21(24(22)30)17-33-15-18-7-3-1-4-8-18/h1-12,14,21-23H,13,15-17H2,(H,28,31,32)/b12-11+